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76322-56-0 | Butanamide, N-(2-mercaptoethyl)-
CAS No: 76322-56-0 Catalog No: AG005E6H MDL No:
Product Description
Catalog Number:
AG005E6H
Chemical Name:
Butanamide, N-(2-mercaptoethyl)-
CAS Number:
76322-56-0
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
IUPAC Name:
N-(2-sulfanylethyl)butanamide
InChI:
InChI=1S/C6H13NOS/c1-2-3-6(8)7-4-5-9/h9H,2-5H2,1H3,(H,7,8)
InChI Key:
GEMHCIXUOAEJLO-UHFFFAOYSA-N
SMILES:
CCCC(=O)NCCS
Properties
Complexity:
85.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.072g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.236g/mol
Monoisotopic Mass:
147.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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