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869850-56-6 | Propanamide, N-ethyl-3-mercapto-2-oxo-
CAS No: 869850-56-6 Catalog No: AG004KT1 MDL No:
Product Description
Catalog Number:
AG004KT1
Chemical Name:
Propanamide, N-ethyl-3-mercapto-2-oxo-
CAS Number:
869850-56-6
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
N-ethyl-2-oxo-3-sulfanylpropanamide
InChI:
InChI=1S/C5H9NO2S/c1-2-6-5(8)4(7)3-9/h9H,2-3H2,1H3,(H,6,8)
InChI Key:
VPTOCKCOTRLQSC-UHFFFAOYSA-N
SMILES:
CCNC(=O)C(=O)CS
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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