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13097-08-0 | 4-Pyridinecarboxamide, N-(4-oxo-2-thioxo-3-thiazolidinyl)-
CAS No: 13097-08-0 Catalog No: AG000V78 MDL No:
Product Description
Catalog Number:
AG000V78
Chemical Name:
4-Pyridinecarboxamide, N-(4-oxo-2-thioxo-3-thiazolidinyl)-
CAS Number:
13097-08-0
Molecular Formula:
C9H7N3O2S2
Molecular Weight:
253.3008
IUPAC Name:
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-4-carboxamide
InChI:
InChI=1S/C9H7N3O2S2/c13-7-5-16-9(15)12(7)11-8(14)6-1-3-10-4-2-6/h1-4H,5H2,(H,11,14)
InChI Key:
PJRSYKJVEBWMKO-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1NC(=O)c1ccncc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.294g/mol
Monoisotopic Mass:
252.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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