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Thiobenzoic acid

CAS No.:
98-91-9
Catalog Number:
AG0035OV
Molecular Formula:
C7H6OS
Molecular Weight:
138.1869
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
90%
In Stock USA
United States
$43
- +
100g
90%
In Stock USA
United States
$101
- +
500g
90%
In Stock USA
United States
$266
- +
Product Description
Catalog Number:
AG0035OV
Chemical Name:
Thiobenzoic acid
CAS Number:
98-91-9
Molecular Formula:
C7H6OS
Molecular Weight:
138.1869
MDL Number:
MFCD00004852
IUPAC Name:
benzenecarbothioic S-acid
InChI:
InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key:
UIJGNTRUPZPVNG-UHFFFAOYSA-N
SMILES:
OC(=S)c1ccccc1
EC Number:
202-712-9
UNII:
GBG5RLO56N
NSC Number:
66502
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.014g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.184g/mol
Monoisotopic Mass:
138.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis, spectroscopic, thermal and antimicrobial studies of toluene-3,4-dithiolatoarsenic(III) derivatives with some oxygen and sulphur donor ligands. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101
A SABATH Methyltransferase from the moss Physcomitrella patens catalyzes S-methylation of thiols and has a role in detoxification. Phytochemistry 20120901
New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II. Bioorganic & medicinal chemistry letters 20120315
The isolation of a new S-methyl benzothioate compound from a marine-derived Streptomyces sp. Journal of biomedicine & biotechnology 20120101
Dicarbonyl-chlorido(phen-oxy-thio-carbonyl-κC,S)bis-(triphenyl-phosphane-κP)molybdenum(II). Acta crystallographica. Section E, Structure reports online 20110101
Biological activity of volatiles from marine and terrestrial bacteria. Marine drugs 20100101
Synthesis of a one-dimensional coordination polymer containing pendant hydrosulfide groups. Dalton transactions (Cambridge, England : 2003) 20091014
Synthesis and characterization of toluene-3,4-dithiolatoantimony(III) derivatives with some oxygen and/or sulphur donor ligands. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090915
Aminolysis of O-aryl thionobenzoates: amine basicity combines with modulation of the nature of substituents in the leaving group and thionobenzoate moiety to control the reaction mechanism. The Journal of organic chemistry 20081003
Expeditious synthesis of steroids containing a 2-methylsulfanyl-acetyl side chain as potential glucocorticoid receptor imaging agents. Steroids 20080101
Nature of the chain propagation in the photostimulated reaction of 1-bromonaphthalene with sulfur-centered nucleophiles. The Journal of organic chemistry 20070413
Towards high capacity latex-coated porous polymer monoliths as ion-exchange stationary phases. The Analyst 20060201
Some new butylthiobenzoatotin(IV) compounds: spectral studies and analysis of ligand's bonding. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20051001
Efficient crystallization-induced dynamic resolution of alpha-substituted carboxylic acids. The Journal of organic chemistry 20040611
A re-examination of the circular dichroism of the calicheamicin enediyne/dienone chromophoric interaction. Organic letters 20040527
11C-Radiosynthesis and preliminary human evaluation of the disposition of the ACE inhibitor [11C]zofenoprilat. Bioorganic & medicinal chemistry 20040201
Facile synthesis of (R)-4-mercaptopyrrolidine-2-thione from L-aspartic acid. Bioscience, biotechnology, and biochemistry 20010401
Synthesis and characterization of alkanethiolate-coordinated iron porphyrins and their dioxygen adducts as models for the active center of cytochrome p450: direct evidence for hydrogen bonding to bound dioxygen. Journal of the American Chemical Society 20010214
Cytotoxicity of triorganophosphinegold(i) complexes of thiobenzoate. Metal-based drugs 20010101
Properties