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Home > Nitro Compounds > 38240-29-8
38240-29-8 | 3-Nitropyridine-2-thiol
CAS No: 38240-29-8 Catalog No: AG003JTX MDL No:MFCD00661369
Product Description
Catalog Number:
AG003JTX
Chemical Name:
3-Nitropyridine-2-thiol
CAS Number:
38240-29-8
Molecular Formula:
C5H4N2O2S
Molecular Weight:
156.1625
MDL Number:
MFCD00661369
IUPAC Name:
3-nitro-1H-pyridine-2-thione
InChI:
InChI=1S/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10)
InChI Key:
LKNPLDRVWHXGKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1S
NSC Number:
98807
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.159g/mol
Monoisotopic Mass:
155.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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