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87884-53-5 | 2-Pyrrolidinone, 1-methyl-4-(phenylthio)-
CAS No: 87884-53-5 Catalog No: AG004E77 MDL No:
Product Description
Catalog Number:
AG004E77
Chemical Name:
2-Pyrrolidinone, 1-methyl-4-(phenylthio)-
CAS Number:
87884-53-5
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
1-methyl-4-phenylsulfanylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NOS/c1-12-8-10(7-11(12)13)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
ZYJLOQCLXAAMIN-UHFFFAOYSA-N
SMILES:
O=C1CC(CN1C)Sc1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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