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189759-00-0 | 4-Pyridinecarboxamide, 2-(cyclohexylthio)-
CAS No: 189759-00-0 Catalog No: AG002DXN MDL No:
Product Description
Catalog Number:
AG002DXN
Chemical Name:
4-Pyridinecarboxamide, 2-(cyclohexylthio)-
CAS Number:
189759-00-0
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
IUPAC Name:
2-cyclohexylsulfanylpyridine-4-carboxamide
InChI:
InChI=1S/C12H16N2OS/c13-12(15)9-6-7-14-11(8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,15)
InChI Key:
KPFHLMXEFYVSGQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccnc(c1)SC1CCCCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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