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Home > Pyridines > 189809-77-6
189809-77-6 | Pentanamide, 4-methyl-2-(2-pyridinylthio)-
CAS No: 189809-77-6 Catalog No: AG002DZQ MDL No:
Product Description
Catalog Number:
AG002DZQ
Chemical Name:
Pentanamide, 4-methyl-2-(2-pyridinylthio)-
CAS Number:
189809-77-6
Molecular Formula:
C11H16N2OS
Molecular Weight:
224.3225
IUPAC Name:
4-methyl-2-pyridin-2-ylsulfanylpentanamide
InChI:
InChI=1S/C11H16N2OS/c1-8(2)7-9(11(12)14)15-10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H2,12,14)
InChI Key:
MFJPSSHBXFVCBS-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)N)Sc1ccccn1)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.322g/mol
Monoisotopic Mass:
224.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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