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175135-26-9 | 3-Pyridinecarboxamide, 2-(propylthio)-
CAS No: 175135-26-9 Catalog No: AG002072 MDL No:MFCD00052904
Product Description
Catalog Number:
AG002072
Chemical Name:
3-Pyridinecarboxamide, 2-(propylthio)-
CAS Number:
175135-26-9
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD00052904
IUPAC Name:
2-propylsulfanylpyridine-3-carboxamide
InChI:
InChI=1S/C9H12N2OS/c1-2-6-13-9-7(8(10)12)4-3-5-11-9/h3-5H,2,6H2,1H3,(H2,10,12)
InChI Key:
JIYBJKGFAMWNDO-UHFFFAOYSA-N
SMILES:
CCCSc1ncccc1C(=O)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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