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Thiobenzamide

CAS No.:
2227-79-4
Catalog Number:
AG0035OU
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0035OU
Chemical Name:
Thiobenzamide
CAS Number:
2227-79-4
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
MDL Number:
MFCD00008060
IUPAC Name:
benzenecarbothioamide
InChI:
InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChI Key:
QIOZLISABUUKJY-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccccc1
EC Number:
218-765-6
UNII:
8799VM9SXC
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.03g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.2g/mol
Monoisotopic Mass:
137.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Covalent modification of lipids and proteins in rat hepatocytes and in vitro by thioacetamide metabolites. Chemical research in toxicology 20120917
Nanosecond time-resolved IR study of thiobenzoylnitrene. Physical chemistry chemical physics : PCCP 20120814
Combined theoretical and experimental study on high diastereoselective chirality transfer based on [2.2]paracyclophane derivative chiral reagent. The Journal of organic chemistry 20120217
(Benzene-carbothio-amide-κS)-penta-carbonyl-tungsten(0). Acta crystallographica. Section E, Structure reports online 20110401
Formation of covalently bound protein adducts from the cytotoxicant naphthalene in nasal epithelium: species comparisons. Environmental health perspectives 20100501
Cytotoxic activity of 3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones and 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides. European journal of medicinal chemistry 20100201
ETM-ANN approach application for thiobenzamide and quinolizidine derivatives. Journal of biomedicine & biotechnology 20100101
Mechanism of unusual formation of 3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones and 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides and their antimicrobial evaluation. European journal of medicinal chemistry 20090801
Hexa-thiocarbamoyl phenyl PEG5K Hb: vasoactivity and structure: influence of rigidity of the conjugation linkage on the PEGylation induced plasma expander-like solution properties of PEG-Hb adducts. The protein journal 20090601
Bioinformatic analysis of xenobiotic reactive metabolite target proteins and their interacting partners. BMC chemical biology 20090101
Enantiomeric resolution of N,N'-dimethyldithiodianthranilide through diastereomeric silver(I) complex. Circular dichroism spectra, racemization barrier, and molecular self-assembly. The Journal of organic chemistry 20080704
Protein targets of reactive metabolites of thiobenzamide in rat liver in vivo. Chemical research in toxicology 20080701
Chemical Research in Toxicology. In this issue. Chemical research in toxicology 20080701
The investigation of structure-activity relationships of tacrine analogues: electronic-topological method. The open medicinal chemistry journal 20080101
Hydrogen sulfide enhances ulcer healing in rats. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20071201
Conformational polymorphism in N-(4'-methoxyphenyl)- 3-bromothiobenzamide. Chemistry, an Asian journal 20070402
Covalent modification of microsomal lipids by thiobenzamide metabolites in vivo. Chemical research in toxicology 20070401
A proteomic analysis of bromobenzene reactive metabolite targets in rat liver cytosol in vivo. Chemical research in toxicology 20070301
The reactive metabolite target protein database (TPDB)--a web-accessible resource. BMC bioinformatics 20070101
Metabolism of thioamides by Ralstonia pickettii TA. Applied and environmental microbiology 20061201
Flavin-containing monooxygenase activity can be inhibited by nitric oxide-mediated S-nitrosylation. Life sciences 20041008
Planar chiral dianthranilide and dithiodianthranilide molecules: optical resolution, chiroptical spectra, and molecular self-assembly. The Journal of organic chemistry 20040220
Rat breast microsomal biotransformation of ethanol to acetaldehyde but not to free radicals: its potential role in the association between alcohol drinking and breast tumor promotion. Teratogenesis, carcinogenesis, and mutagenesis 20030101
Structure-activity relationships for a series of thiobenzamide influenza fusion inhibitors derived from 1,3,3-trimethyl-5-hydroxy-cyclohexylmethylamine. Bioorganic & medicinal chemistry letters 20021202
The antituberculosis drug ethionamide is activated by a flavoprotein monooxygenase. The Journal of biological chemistry 20020412
Synthesis of 1,3-thiazine derivatives and their evaluation as potential antimycobacterial agents. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20020401
Rat ventral prostate microsomal biotransformation of ethanol to acetaldehyde and 1-hydroxyethyl radicals: its potential contribution to prostate tumor promotion. Teratogenesis, carcinogenesis, and mutagenesis 20020101
2,2'-Dithiobisbenzamides and 2-benzisothiazolones, two new classes of antiretroviral agents: SAR and mechanistic considerations. Drug design and discovery 19970501
[Chemical studies the mechanism of action of isoniazid]. Arzneimittel-Forschung 19661101
Properties