CAS 2362-64-3 | Benzenecarbothioamide, 4-methoxy- | CAS Number 2362-64-3

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2362-64-3 | Benzenecarbothioamide, 4-methoxy-

CAS No: 2362-64-3 Catalog No: AG002NY0 MDL No:MFCD00040993

Product Description

Catalog Number:

AG002NY0

Chemical Name:

Benzenecarbothioamide, 4-methoxy-

CAS Number:

2362-64-3

Molecular Formula:

C8H9NOS

Molecular Weight:

167.2282

MDL Number:

MFCD00040993

IUPAC Name:

4-methoxybenzenecarbothioamide

InChI:

InChI=1S/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)

InChI Key:

WKWVTPKUHJOVTI-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(=S)N

Properties

Complexity:

141

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.226g/mol

Monoisotopic Mass:

167.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
4-Methoxy-benzene-carbothio-amide.	Acta crystallographica. Section E, Structure reports online 20100601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
[Chemical studies the mechanism of action of isoniazid].	Arzneimittel-Forschung 19661101