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50596-67-3 | 3-PyridinecarboxaMide, 1,2-dihydro-2-thioxo-
CAS No: 50596-67-3 Catalog No: AG00E18U MDL No:MFCD01570797
Product Description
Catalog Number:
AG00E18U
Chemical Name:
3-PyridinecarboxaMide, 1,2-dihydro-2-thioxo-
CAS Number:
50596-67-3
Molecular Formula:
C6H6N2OS
Molecular Weight:
154.1896
MDL Number:
MFCD01570797
IUPAC Name:
2-sulfanylidene-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C6H6N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)
InChI Key:
JWGLQVHQUBWDSP-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccnc1S
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:
-0.1
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