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Home > Imidazoles > 65319-62-2
65319-62-2 | 4-Imidazolidinone, 5-[2-(methylsulfonyl)ethyl]-3-phenyl-2-thioxo-, (S)-
CAS No: 65319-62-2 Catalog No: AG006T93 MDL No:
Product Description
Catalog Number:
AG006T93
Chemical Name:
4-Imidazolidinone, 5-[2-(methylsulfonyl)ethyl]-3-phenyl-2-thioxo-, (S)-
CAS Number:
65319-62-2
Molecular Formula:
C12H14N2O3S2
Molecular Weight:
298.3812
IUPAC Name:
(5S)-5-(2-methylsulfonylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C12H14N2O3S2/c1-19(16,17)8-7-10-11(15)14(12(18)13-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,18)/t10-/m0/s1
InChI Key:
RSHIVNVSPBCMMT-JTQLQIEISA-N
SMILES:
O=C1[C@H](CCS(=O)(=O)C)NC(=S)N1c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.375g/mol
Monoisotopic Mass:
298.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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