(3'-carboxymethyl-5-(2-(3-ethyl-3H-benzothiazol-2-ylidene)-1-methyl-ethylidene)-4,4'-dioxo-2'-thioxo-(2,5')bithiazolidinyliden-3-yl)-acetic acid

Modify Date: 2025-09-12 12:45:54

(3'-carboxymethyl-5-(2-(3-ethyl-3H-benzothiazol-2-ylidene)-1-methyl-ethylidene)-4,4'-dioxo-2'-thioxo-(2,5')bithiazolidinyliden-3-yl)-acetic acid Structure
(3'-carboxymethyl-5-(2-(3-ethyl-3H-benzothiazol-2-ylidene)-1-methyl-ethylidene)-4,4'-dioxo-2'-thioxo-(2,5')bithiazolidinyliden-3-yl)-acetic acid structure
Common Name (3'-carboxymethyl-5-(2-(3-ethyl-3H-benzothiazol-2-ylidene)-1-methyl-ethylidene)-4,4'-dioxo-2'-thioxo-(2,5')bithiazolidinyliden-3-yl)-acetic acid
CAS Number 166596-68-5 Molecular Weight 549.663
Density 1.7±0.1 g/cm3 Boiling Point 684.7±65.0 °C at 760 mmHg
Molecular Formula C22H19N3O6S4 Melting Point N/A
MSDS N/A Flash Point 367.9±34.3 °C

 Names

Name 5-[3-(Carboxymethyl)-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 684.7±65.0 °C at 760 mmHg
Molecular Formula C22H19N3O6S4
Molecular Weight 549.663
Flash Point 367.9±34.3 °C
Exact Mass 549.015686
LogP 1.69
Vapour Pressure 0.0±2.2 mmHg at 25°C
Index of Refraction 1.817
InChIKey NLBVDNLIVPMPQV-QMTYVIGWSA-N
SMILES CCN1C(=CC(C)=c2sc(=C3SC(=S)N(CC(=O)O)C3=O)n(CC(=O)O)c2=O)Sc2ccccc21

 Synonyms

3-Thiazolidineacetic acid, 2-[3-(carboxymethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]-5-[(2Z)-2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4-oxo-, (2E,5E)-
[(5E)-5-{(5E)-3-(Carboxymethyl)-5-[(1Z)-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-propanylidene]-4-oxo-1,3-thiazolidin-2-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
5-[3-(Carboxymethyl)-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
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