RefChem:1065424
3-[(2E)-2-[(E,4Z)-4-[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]but-2-enylidene]-6-methyl-1,3-benzothiazol-3-yl]propanoic acid
Also Known As: NK 1901|3(2H)-Benzothiazolepropanoic acid, 2-(4-(3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene)-6-methyl-|3-[(2E)-2-[(E,4Z)-4-[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]but-2-enylidene]-6-methyl-1,3-benzothiazol-3-yl]propanoic acid
CAS: 62883-67-4
| Molecular Formula | C21H20N2O5S3 |
|---|---|
| Molecular Weight | 476.05344 g/mol |
| LogP | 3.99832 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.05344 |
| Monoisotopic Mass | 476.05344 |
| Heavy Atoms | 31 |
| Complexity | 1031.8416 |
Chemical Identifiers
| CAS Number | 62883-67-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(/C(=C\C=C\C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/S2)CCC(=O)O |
Product Overview
RefChem:1065424 (CAS 62883-67-4), with molecular formula C21H20N2O5S3 and molecular weight 476.05344 g/mol. IUPAC: 3-[(2E)-2-[(E,4Z)-4-[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]but-2-enylidene]-6-methyl-1,3-benzothiazol-3-yl]propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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