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85443-50-1 | 2-Pyrrolidinone,1-mercapto-
CAS No: 85443-50-1 Catalog No: AG004JXO MDL No:
Product Description
Catalog Number:
AG004JXO
Chemical Name:
2-Pyrrolidinone,1-mercapto-
CAS Number:
85443-50-1
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
IUPAC Name:
1-sulfanylpyrrolidin-2-one
InChI:
InChI=1S/C4H7NOS/c6-4-2-1-3-5(4)7/h7H,1-3H2
InChI Key:
WOQLPPITHNQPLR-UHFFFAOYSA-N
SMILES:
O=C1CCCN1S
EC Number:
287-242-2
Properties
Complexity:
93.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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