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3889-20-1 | 3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 3889-20-1 Catalog No: AG00JF1J MDL No:MFCD00174879
Product Description
Catalog Number:
AG00JF1J
Chemical Name:
3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
3889-20-1
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
MDL Number:
MFCD00174879
IUPAC Name:
3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H11NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
VYNFNTKJZYOOPO-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1CCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. | Journal of medicinal chemistry 20051117 |
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