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88124-09-8 | Butanamide, N-[2-(methylthio)ethyl]-3-oxo-
CAS No: 88124-09-8 Catalog No: AG004IGD MDL No:
Product Description
Catalog Number:
AG004IGD
Chemical Name:
Butanamide, N-[2-(methylthio)ethyl]-3-oxo-
CAS Number:
88124-09-8
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
IUPAC Name:
N-(2-methylsulfanylethyl)-3-oxobutanamide
InChI:
InChI=1S/C7H13NO2S/c1-6(9)5-7(10)8-3-4-11-2/h3-5H2,1-2H3,(H,8,10)
InChI Key:
ZYTNTXVCLOSOPB-UHFFFAOYSA-N
SMILES:
CSCCNC(=O)CC(=O)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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