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Home > Pyridines > 114570-82-0
114570-82-0 | Acetamide, N-[2-(2,6-dimethyl-4-thioxo-1(4H)-pyridinyl)ethyl]-
CAS No: 114570-82-0 Catalog No: AG000EQL MDL No:
Product Description
Catalog Number:
AG000EQL
Chemical Name:
Acetamide, N-[2-(2,6-dimethyl-4-thioxo-1(4H)-pyridinyl)ethyl]-
CAS Number:
114570-82-0
Molecular Formula:
C11H16N2OS
Molecular Weight:
224.3225
IUPAC Name:
N-[2-(2,6-dimethyl-4-sulfanylidenepyridin-1-yl)ethyl]acetamide
InChI:
InChI=1S/C11H16N2OS/c1-8-6-11(15)7-9(2)13(8)5-4-12-10(3)14/h6-7H,4-5H2,1-3H3,(H,12,14)
InChI Key:
QHNKJSKXUONNSI-UHFFFAOYSA-N
SMILES:
CC(=O)NCCn1c(C)cc(=S)cc1C
Properties
Complexity:
323
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:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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