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219821-18-8 | (S)-4-Benzylthiazolidin-2-one
CAS No: 219821-18-8 Catalog No: AG00BDFA MDL No:MFCD08436194
Product Description
Catalog Number:
AG00BDFA
Chemical Name:
(S)-4-Benzylthiazolidin-2-one
CAS Number:
219821-18-8
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD08436194
IUPAC Name:
(4S)-4-benzyl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C10H11NOS/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1
InChI Key:
HOTCRDXCVRFUOW-VIFPVBQESA-N
SMILES:
O=C1SC[C@@H](N1)Cc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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