CAS 2521-24-6 | Benzenecarbothioamide, 4-chloro- | CAS Number 2521-24-6

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2521-24-6 | Benzenecarbothioamide, 4-chloro-

CAS No: 2521-24-6 Catalog No: AG002QY1 MDL No:MFCD00040956

Product Description

Catalog Number:

AG002QY1

Chemical Name:

Benzenecarbothioamide, 4-chloro-

CAS Number:

2521-24-6

Molecular Formula:

C7H6ClNS

Molecular Weight:

171.6472

MDL Number:

MFCD00040956

IUPAC Name:

4-chlorobenzenecarbothioamide

InChI:

InChI=1S/C7H6ClNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

InChI Key:

OKPUICCJRDBRJT-UHFFFAOYSA-N

SMILES:

NC(=S)c1ccc(cc1)Cl

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.642g/mol

Monoisotopic Mass:

170.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
3-Methyl-thio-benzamide.	Acta crystallographica. Section E, Structure reports online 20090601
4-Chloro-benzothio-amide.	Acta crystallographica. Section E, Structure reports online 20090501
[Chemical studies the mechanism of action of isoniazid].	Arzneimittel-Forschung 19661101