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88124-13-4 | Butanamide, N-[2-(ethylthio)ethyl]-3-oxo-
CAS No: 88124-13-4 Catalog No: AG004DWH MDL No:
Product Description
Catalog Number:
AG004DWH
Chemical Name:
Butanamide, N-[2-(ethylthio)ethyl]-3-oxo-
CAS Number:
88124-13-4
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
IUPAC Name:
N-(2-ethylsulfanylethyl)-3-oxobutanamide
InChI:
InChI=1S/C8H15NO2S/c1-3-12-5-4-9-8(11)6-7(2)10/h3-6H2,1-2H3,(H,9,11)
InChI Key:
QEVFLSQLTIKCSR-UHFFFAOYSA-N
SMILES:
CCSCCNC(=O)CC(=O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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