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Home > Pyridines > 264254-92-4
264254-92-4 | 3-Pyridinecarbonitrile, 2-(ethylthio)-1,4,5,6-tetrahydro-4-(4-hydroxyphenyl)-6-oxo-
CAS No: 264254-92-4 Catalog No: AG002T68 MDL No:
Product Description
Catalog Number:
AG002T68
Chemical Name:
3-Pyridinecarbonitrile, 2-(ethylthio)-1,4,5,6-tetrahydro-4-(4-hydroxyphenyl)-6-oxo-
CAS Number:
264254-92-4
Molecular Formula:
C14H14N2O2S
Molecular Weight:
274.3382
IUPAC Name:
6-ethylsulfanyl-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
InChI:
InChI=1S/C14H14N2O2S/c1-2-19-14-12(8-15)11(7-13(18)16-14)9-3-5-10(17)6-4-9/h3-6,11,17H,2,7H2,1H3,(H,16,18)
InChI Key:
UCUOILARXZVKQZ-UHFFFAOYSA-N
SMILES:
CCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.338g/mol
Monoisotopic Mass:
274.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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