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175135-27-0 | 3-Pyridinecarboxamide, 2-(ethylthio)-
CAS No: 175135-27-0 Catalog No: AG002071 MDL No:MFCD00052903
Product Description
Catalog Number:
AG002071
Chemical Name:
3-Pyridinecarboxamide, 2-(ethylthio)-
CAS Number:
175135-27-0
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD00052903
IUPAC Name:
2-ethylsulfanylpyridine-3-carboxamide
InChI:
InChI=1S/C8H10N2OS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3,(H2,9,11)
InChI Key:
YSSWIQWINOZESS-UHFFFAOYSA-N
SMILES:
CCSc1ncccc1C(=O)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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