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116299-42-4 | Butanamide, 2-amino-4-mercapto-, (2S)-
CAS No: 116299-42-4 Catalog No: AG000C5E MDL No:
Product Description
Catalog Number:
AG000C5E
Chemical Name:
Butanamide, 2-amino-4-mercapto-, (2S)-
CAS Number:
116299-42-4
Molecular Formula:
C4H10N2OS
Molecular Weight:
134.2000
IUPAC Name:
2-amino-4-sulfanylbutanamide
InChI:
InChI=1S/C4H10N2OS/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H2,6,7)
InChI Key:
FUSONMXGIYZXLH-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)N)CCS
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.051g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.197g/mol
Monoisotopic Mass:
134.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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