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157429-42-0 | 2-Pyrrolidinone, 4-mercapto-, (4R)-
CAS No: 157429-42-0 Catalog No: AG001PGI MDL No:MFCD02262099
Product Description
Catalog Number:
AG001PGI
Chemical Name:
2-Pyrrolidinone, 4-mercapto-, (4R)-
CAS Number:
157429-42-0
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
MDL Number:
MFCD02262099
IUPAC Name:
(4R)-4-sulfanylpyrrolidin-2-one
InChI:
InChI=1S/C4H7NOS/c6-4-1-3(7)2-5-4/h3,7H,1-2H2,(H,5,6)/t3-/m1/s1
InChI Key:
RADPGJBZLCMARV-GSVOUGTGSA-N
SMILES:
S[C@@H]1CC(=O)NC1
UNII:
K2RS44I3DB
Properties
Complexity:
93.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
117.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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