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856107-23-8 | 3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
CAS No: 856107-23-8 Catalog No: AG00J8KY MDL No:MFCD10040386
Product Description
Catalog Number:
AG00J8KY
Chemical Name:
3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
856107-23-8
Molecular Formula:
C12H13NO2S2
Molecular Weight:
267.3671
MDL Number:
MFCD10040386
IUPAC Name:
3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H13NO2S2/c1-15-10-4-2-9(3-5-10)6-7-13-11(14)8-17-12(13)16/h2-5H,6-8H2,1H3
InChI Key:
XKQMYYNWVQQGPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCN1C(=S)SCC1=O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.361g/mol
Monoisotopic Mass:
267.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^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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