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89818-18-8 | 2-Propenamide, 3-(1,2-dihydro-1-phenyl-2-thioxo-3-pyridinyl)-, (E)-
CAS No: 89818-18-8 Catalog No: AG003Z6H MDL No:
Product Description
Catalog Number:
AG003Z6H
Chemical Name:
2-Propenamide, 3-(1,2-dihydro-1-phenyl-2-thioxo-3-pyridinyl)-, (E)-
CAS Number:
89818-18-8
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
IUPAC Name:
3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enamide
InChI:
InChI=1S/C14H12N2OS/c15-13(17)9-8-11-5-4-10-16(14(11)18)12-6-2-1-3-7-12/h1-10H,(H2,15,17)
InChI Key:
CGBKBAMONZUOQQ-UHFFFAOYSA-N
SMILES:
NC(=O)/C=C/c1cccn(c1=S)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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