| CAS Number | 430450-90-1 |
| Catalog Number | AG00DAW5(AGN-PC-0WB4MK) |
| Chemical Name | (4Z)-4-(3-iodo-4,5-dimethoxybenzylidene)-2-(methylthio)-1,3-thiazol-5(4H)-one |
| IUPAC Name | 4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one |
| InChI | InChI=1S/C13H12INO3S2/c1-17-10-6-7(4-8(14)11(10)18-2)5-9-12(16)20-13(15-9)19-3/h4-6H,1-3H3 |
| InChI Key | CUTNTQFMSBPNGS-UHFFFAOYSA-N |
| MDL Number | MFCD02376571 |
| Molecular Formula | C13H12INO3S2 |
| Molecular Weight | 421.2737 |
| SMILES | S1C(=O)/C(/N=C1SC)=C/C1C=C(OC)C(=C(I)C=1)OC |
| Synonyms | 430450-90-1,
CHEMBRDG-BB 6634979,
AGN-PC-0KBQUA,
AC1MEPG4,
CTK4I6928,
DTXSID60387743,
AKOS030253935,
MCULE-9104463786,
(Z)-4-(3-Iodo-4,5-dimethoxybenzylidene)-2-(methylthio)thiazol-5(4H)-one,
4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one,
ZINC02874347,
CID2906998,
(4Z)-4-(3-IODO-4,5-DIMETHOXYBENZYLIDENE)-2-(METHYLTHIO)-1,3-THIAZOL-5(4H)-ONE,
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| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.267g/mol |
| Monoisotopic Mass | 420.93g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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