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2362-62-1 | Benzenecarbothioamide, 4-methyl-
CAS No: 2362-62-1 Catalog No: AG002NY2 MDL No:MFCD00173750
Product Description
Catalog Number:
AG002NY2
Chemical Name:
Benzenecarbothioamide, 4-methyl-
CAS Number:
2362-62-1
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD00173750
IUPAC Name:
4-methylbenzenecarbothioamide
InChI:
InChI=1S/C8H9NS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChI Key:
QXYZSNGZMDVLKN-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.046g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.227g/mol
Monoisotopic Mass:
151.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 4-Methyl-benzene-carbothio-amide. | Acta crystallographica. Section E, Structure reports online 20100601 |
| [Chemical studies the mechanism of action of isoniazid]. | Arzneimittel-Forschung 19661101 |
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