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29583-08-2 | 4-Imidazolidinone, 5-[(1S)-1-hydroxyethyl]-3-phenyl-2-thioxo-, (5R)-
CAS No: 29583-08-2 Catalog No: AG002YU5 MDL No:
Product Description
Catalog Number:
AG002YU5
Chemical Name:
4-Imidazolidinone, 5-[(1S)-1-hydroxyethyl]-3-phenyl-2-thioxo-, (5R)-
CAS Number:
29583-08-2
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
IUPAC Name:
(5R)-5-[(1S)-1-hydroxyethyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16)/t7-,9+/m0/s1
InChI Key:
ZPBWLZAKZOHLOP-IONNQARKSA-N
SMILES:
C[C@@H]([C@H]1NC(=S)N(C1=O)c1ccccc1)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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