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26060-30-0 | Benzenecarbothioamide, 4-nitro-
CAS No: 26060-30-0 Catalog No: AG002RKL MDL No:MFCD06150000
Product Description
Catalog Number:
AG002RKL
Chemical Name:
Benzenecarbothioamide, 4-nitro-
CAS Number:
26060-30-0
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD06150000
IUPAC Name:
4-nitrobenzenecarbothioamide
InChI:
InChI=1S/C7H6N2O2S/c8-7(12)5-1-3-6(4-2-5)9(10)11/h1-4H,(H2,8,12)
InChI Key:
MDBQPBMIZPCKAJ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| [Chemical studies the mechanism of action of isoniazid]. | Arzneimittel-Forschung 19661101 |
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