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840454-19-5 | 2-Thiazolidinone, 4-phenyl-, (4S)-
CAS No: 840454-19-5 Catalog No: AG0050L1 MDL No:
Product Description
Catalog Number:
AG0050L1
Chemical Name:
2-Thiazolidinone, 4-phenyl-, (4S)-
CAS Number:
840454-19-5
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
(4S)-4-phenyl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C9H9NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChI Key:
FROGLEWKVOIXBM-MRVPVSSYSA-N
SMILES:
O=C1SC[C@@H](N1)c1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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