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4114-67-4 | Benzenecarbothioamide, 4-amino-
CAS No: 4114-67-4 Catalog No: AG01FOKZ MDL No:
Product Description
Catalog Number:
AG01FOKZ
Chemical Name:
Benzenecarbothioamide, 4-amino-
CAS Number:
4114-67-4
IUPAC Name:
4-aminobenzenecarbothioamide
InChI:
InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChI Key:
LZJVSPPXXGXGQL-UHFFFAOYSA-N
EC Number:
610-329-7
UNII:
RWB1B05E2V
NSC Number:
18337
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| [Chemical studies the mechanism of action of isoniazid]. | Arzneimittel-Forschung 19661101 |
| Antituberculous compounds. XXVII. Monoalkylaminobenzothioamides. | Journal of medicinal chemistry 19651101 |
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