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Home Other Building Blocks N-(4-carbamothioylphenyl)acetamide

N-(4-carbamothioylphenyl)acetamide

CAS No.:
4714-68-5
Catalog Number:
AG019L39
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
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Product Description
Catalog Number:
AG019L39
Chemical Name:
N-(4-carbamothioylphenyl)acetamide
CAS Number:
4714-68-5
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
MDL Number:
MFCD09802196
IUPAC Name:
N-(4-carbamothioylphenyl)acetamide
InChI:
InChI=1S/C9H10N2OS/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChI Key:
FHGLVCBKNBRMJM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C(=S)N
NSC Number:
18372
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
[Chemical studies the mechanism of action of isoniazid]. Arzneimittel-Forschung 19661101
Antituberculous compounds. XXVII. Monoalkylaminobenzothioamides. Journal of medicinal chemistry 19651101
Properties