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Benzenemethanethiol

CAS No.:
100-53-8
Catalog Number:
AG00007D
Molecular Formula:
C7H8S
Molecular Weight:
124.2034
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$47
- +
25g
95%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG00007D
Chemical Name:
Benzenemethanethiol
CAS Number:
100-53-8
Molecular Formula:
C7H8S
Molecular Weight:
124.2034
MDL Number:
MFCD00004867
IUPAC Name:
phenylmethanethiol
InChI:
InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
UENWRTRMUIOCKN-UHFFFAOYSA-N
SMILES:
SCc1ccccc1
EC Number:
202-862-5
UNII:
OS34A21OBZ
FEMA Number:
2147
Properties
Complexity:
55.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.035g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.201g/mol
Monoisotopic Mass:
124.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold. Journal of medicinal chemistry 20120308
Structure-activity relationships of 2-benzylsulfanylbenzothiazoles: synthesis and selective antimycobacterial properties. Medicinal chemistry (Shariqah (United Arab Emirates)) 20120301
Structure-activity relationship study of pyridazine derivatives as glutamate transporter EAAT2 activators. Bioorganic & medicinal chemistry letters 20111001
Novel and promising compounds to treat Cryptosporidium parvum infections. Parasitology research 20110901
Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cadmate(II) ethanol monosolvate. Acta crystallographica. Section E, Structure reports online 20110601
Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cuprate(II) dihydrate. Acta crystallographica. Section E, Structure reports online 20110501
2-[2-(Benzyl-sulfan-yl)phen-yl]-1,1,3,3-tetra-methyl-guanidine. Acta crystallographica. Section E, Structure reports online 20110501
4-[2-(Benzyl-sulfan-yl)acet-yl]-3,4-dihydro-quinoxalin-2(1H)-one. Acta crystallographica. Section E, Structure reports online 20110401
2-(4-Methyl-sulfanylphen-yl)-1H-benzimidazol-3-ium bromide. Acta crystallographica. Section E, Structure reports online 20110201
Mono- and bi-functional arenethiols as surfactants for gold nanoparticles: synthesis and characterization. Nanoscale research letters 20110101
2-Benzyl-sulfanyl-3-(2,2,2-trifluoro-ethoxy)pyridine. Acta crystallographica. Section E, Structure reports online 20101201
Stable, dispersible surface-enhanced Raman scattering substrate capable of detecting molecules bound to silica-immobilized ligands. Applied spectroscopy 20101101
Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines. Journal of agricultural and food chemistry 20100922
S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorganic & medicinal chemistry letters 20100901
Self-assembled monolayers of benzylmercaptan and para-cyanobenzylmercaptan on gold: surface infrared spectroscopic characterization. Physical chemistry chemical physics : PCCP 20100507
Self-assembled monolayers of benzenethiol and benzenemethanethiol on Au(111): Influence of an alkyl spacer on the structure and thermal desorption behavior. Journal of colloid and interface science 20100215
[μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[diphen-yl(phenyl-sulfanylmeth-yl)phosphine-3κP]-triangulo-triruthenium(0) chloro-form hemisolvate. Acta crystallographica. Section E, Structure reports online 20100201
Pb-induced cellular defense system in the root meristematic cells of Allium sativum L. BMC plant biology 20100101
Production of functionalized polyhydroxyalkanoates by genetically modified Methylobacterium extorquens strains. Microbial cell factories 20100101
GABA analogues derived from 4-aminocyclopent-1-enecarboxylic acid. Neurochemical research 20091001
How thioredoxin dissociates its mixed disulfide. PLoS computational biology 20090801
Optimisation of chemical protein cleavage for erythropoietin semi-synthesis using native chemical ligation. Organic & biomolecular chemistry 20081107
Self-assembled monolayers of benzylmercaptan and p-cyanobenzylmercaptan on Au(111) surfaces: structural and spectroscopic characterization. Langmuir : the ACS journal of surfaces and colloids 20080603
Preparation and electrochemical and optical properties of unsymmetrically substituted phthalocyanines with one or two trithiole rings and related symmetric derivatives. Inorganic chemistry 20080505
Photochemical reactions of 4-thiouridine disulfide and 4-benzylthiouridine--the involvement of the 4-pyrimidinylthiyl radical. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080201
Oligomeric proanthocyanidins from mangosteen pericarps. Journal of agricultural and food chemistry 20070919
Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore. Journal of medicinal chemistry 20070809
Isatin sulfonamide analogs containing a Michael addition acceptor: a new class of caspase 3/7 inhibitors. Journal of medicinal chemistry 20070726
Effect of cysteine and cystine addition on sensory profile and potent odorants of extruded potato snacks. Journal of agricultural and food chemistry 20070711
Hybrid molecules of estrone: new compounds with potential antibacterial, antifungal, and antiproliferative activities. Bioorganic & medicinal chemistry 20070415
Quantitative structure-activity relationship study of benzylsulfanyl imidazoles as cytokine release inhibitors. Journal of enzyme inhibition and medicinal chemistry 20070201
New facile tandem route to oxo- and thioxo[1,2,4]triazolo[1,5-a]pyridinium salts. The Journal of organic chemistry 20060929
Studies on the mechanism of action of prekinamycin, a member of the diazoparaquinone family of natural products: evidence for both sp2 radical and orthoquinonemethide intermediates. Journal of the American Chemical Society 20060927
Control of optically active structure of thioether-phthalocyanine aggregates by chiral Pd(II)-BINAP complexes in toluene and at the toluene/water interface. Chirality 20060801
Carbosilane dendrimers bearing globotriaoses: syntheses of globotrioasyl derivative and introduction into carbosilane dendrimers. Biomacromolecules 20060801
Convenient synthesis of a sialylglycopeptide-thioester having an intact and homogeneous complex-type disialyl-oligosaccharide. Carbohydrate research 20060724
Relaxation dynamics and transient behavior of small arenethiol passivated gold nanoparticles. The journal of physical chemistry. B 20060330
A surprisingly stable S-nitrosothiol complex. Journal of the American Chemical Society 20060301
Mononuclear to polynuclear transition induced by ligand coordination: synthesis, X-ray structure, and properties of mono-, di-, and polynuclear copper(II) complexes of pyridyl-containing azo ligands. Inorganic chemistry 20060123
The application of phenylmethanethiol and benzenethiol derivatives as odorless organosulfur reagents in the synthesis of thiosugars and thioglycosides. Carbohydrate research 20051031
Evidence for the formation of Michael adducts from reactions of (E,E)-muconaldehyde with glutathione and other thiols. Bioorganic chemistry 20051001
Sugar-derived 2-S-substituted-2H-pyran-3(6H)-ones: synthesis and reactivity. Carbohydrate research 20050926
Identification of potent odorants formed during the preparation of extruded potato snacks. Journal of agricultural and food chemistry 20050810
Design and synthesis of new 2-substituted-5-(2-benzylthiophenyl)-1,3,4-oxadiazoles as benzodiazepine receptor agonists. Bioorganic & medicinal chemistry letters 20050615
Synthesis and pharmacological evaluation of benzamide derivatives as selective 5-HT(4) receptor agonists. Bioorganic & medicinal chemistry 20050502
Parallel solution-phase synthesis of a 2,6,8,9-tetrasubstituted purine library via a sulfur intermediate. Journal of combinatorial chemistry 20050101
Synthesis and antimycobacterial activity of pyridylmethylsulfanyl and naphthylmethylsulfanyl derivatives of benzazoles, 1, 2, 4-triazole, and pyridine-2-carbothioamide/-2-carbonitrile. Archiv der Pharmazie 20041001
Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Journal of medicinal chemistry 20040311
Functionalization of cyclodextrins via reactions of 2,3-anhydrocyclodextrins. The Journal of organic chemistry 20031128
Monomeric, oligomeric, and polymeric flavan-3-ol composition of wines and grapes from Vitis vinifera L. Cv. Graciano, Tempranillo, and Cabernet Sauvignon. Journal of agricultural and food chemistry 20031022
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with baker's yeast. Journal of agricultural and food chemistry 20030604
Contribution of benzenemethanethiol to smoky aroma of certain Vitis vinifera L. wines. Journal of agricultural and food chemistry 20030226
Synthesis of glycosides of 3-deoxy-4-thiopentopyranosid-2-uloses and their reduction products: 3-deoxy-4-thiopentopyranosides. Carbohydrate research 20021119
Volatile components in defensive spray of the hooded skunk, Mephitis macroura. Journal of chemical ecology 20020901
Characterisation of polymeric surfactants that are glutathione transferase mimics. Toxicology 20011130
Total synthesis of (-)-neplanocin a by using lithium thiolate-initiated Michael-aldol tandem cyclization reaction. The Journal of organic chemistry 20011130
A novel palladium-mediated coupling approach to 2,3-disubstituted benzo(b)thiophenes and its application to the synthesis of tubulin binding agents. Organic letters 20010308
Determination of monobromobimane derivatives of phenylmercapturic and benzylmercapturic acids in urine by high-performance liquid chromatography and fluorimetry. Journal of chromatography. B, Biomedical sciences and applications 20010225
Fungal cleavage of thioether bond found in Yperite. FEBS letters 19970728
Properties