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88896-72-4 | 3-Pyridinecarboxamide, 1,4-dihydro-1-[2-(methylthio)ethyl]-
CAS No: 88896-72-4 Catalog No: AG00492P MDL No:
Product Description
Catalog Number:
AG00492P
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-1-[2-(methylthio)ethyl]-
CAS Number:
88896-72-4
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
IUPAC Name:
1-(2-methylsulfanylethyl)-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C9H14N2OS/c1-13-6-5-11-4-2-3-8(7-11)9(10)12/h2,4,7H,3,5-6H2,1H3,(H2,10,12)
InChI Key:
AFAYJHMYLJVHQP-UHFFFAOYSA-N
SMILES:
CSCCN1C=CCC(=C1)C(=O)N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.284g/mol
Monoisotopic Mass:
198.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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