3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester

Modify Date: 2025-10-26 07:47:27

3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester Structure
3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester structure
Common Name 3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester
CAS Number 59794-33-1 Molecular Weight 253.34100
Density 1.39g/cm3 Boiling Point 388ºC at 760mmHg
Molecular Formula C11H11NO2S2 Melting Point N/A
MSDS N/A Flash Point 188.4ºC

 Names

Name ethyl 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 388ºC at 760mmHg
Molecular Formula C11H11NO2S2
Molecular Weight 253.34100
Flash Point 188.4ºC
Exact Mass 253.02300
PSA 91.56000
LogP 2.99540
Index of Refraction 1.678
InChIKey LWXTWCTXPHASGZ-UHFFFAOYSA-N
SMILES CCOC(=O)Cn1c(=S)sc2ccccc21

 Synthetic Route

~94%

3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:59794-33-1

Literature: D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76

~%

3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:59794-33-1

Literature: D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76

~%

3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:59794-33-1

Literature: D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76

~%

3(2H)-Benzothiazoleacetic acid, 2-thioxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:59794-33-1

Literature: D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76

 Synonyms

(2-thioxo-benzothiazol-3-yl)-acetic acid ethyl ester
3-(carbethoxymethyl)-benzothiazoline-2-thione
3-(Carboethoxymethyl)benzothiazolin-2-thion
2-thioxo-3(2H)-benzothiazole-3-acetic acid ethyl ester
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