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Home > Pyridines > 1094459-09-2
1094459-09-2 | 2-hydroxypyridine-4-carbothioamide
CAS No: 1094459-09-2 Catalog No: AG01BGA1 MDL No:MFCD11213693
Product Description
Catalog Number:
AG01BGA1
Chemical Name:
2-hydroxypyridine-4-carbothioamide
CAS Number:
1094459-09-2
Molecular Formula:
C6H6N2OS
Molecular Weight:
154.1896
MDL Number:
MFCD11213693
IUPAC Name:
2-oxo-1H-pyridine-4-carbothioamide
InChI:
InChI=1S/C6H6N2OS/c7-6(10)4-1-2-8-5(9)3-4/h1-3H,(H2,7,10)(H,8,9)
InChI Key:
HPRBBOIGXICHDH-UHFFFAOYSA-N
SMILES:
Oc1nccc(c1)C(=S)N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.187g/mol
Monoisotopic Mass:
154.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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