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92029-85-1 | 2-THIOXO-5-(2,3,4-TRIMETHOXYBENZYLIDENE)-1,3-THIAZOLIDIN-4-ONE
CAS No: 92029-85-1 Catalog No: AG0061R6 MDL No:
Product Description
Catalog Number:
AG0061R6
Chemical Name:
2-THIOXO-5-(2,3,4-TRIMETHOXYBENZYLIDENE)-1,3-THIAZOLIDIN-4-ONE
CAS Number:
92029-85-1
Molecular Formula:
C13H13NO4S2
Molecular Weight:
311.3766
IUPAC Name:
(5Z)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13NO4S2/c1-16-8-5-4-7(10(17-2)11(8)18-3)6-9-12(15)14-13(19)20-9/h4-6H,1-3H3,(H,14,15,19)/b9-6-
InChI Key:
RLKUSBAQGRQENV-TWGQIWQCSA-N
SMILES:
COc1c(C=C2SC(=S)NC2=O)ccc(c1OC)OC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
311.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.37g/mol
Monoisotopic Mass:
311.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antifungal activity of (Z)-5-arylidenerhodanines. | Bioorganic & medicinal chemistry 20070101 |
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