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6325-95-7 | 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CAS No: 6325-95-7 Catalog No: AG00ELXW MDL No:MFCD00442438
Product Description
Catalog Number:
AG00ELXW
Chemical Name:
5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CAS Number:
6325-95-7
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
MDL Number:
MFCD00442438
IUPAC Name:
5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H11NO4S/c1-16-8-4-3-7(5-9(8)17-2)6-10-11(14)13-12(15)18-10/h3-6H,1-2H3,(H,13,14,15)
InChI Key:
ARJGUVIAPHIKLE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)/C=C\1/SC(=O)NC1=O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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