ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate

Modify Date: 2025-10-18 18:38:47

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate Structure
ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate structure
Common Name ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate
CAS Number 85716-85-4 Molecular Weight 241.33000
Density 1.24g/cm3 Boiling Point 384.3ºC at 760 mmHg
Molecular Formula C10H11NO2S2 Melting Point N/A
MSDS N/A Flash Point 186.2ºC

 Names

Name ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 384.3ºC at 760 mmHg
Molecular Formula C10H11NO2S2
Molecular Weight 241.33000
Flash Point 186.2ºC
Exact Mass 241.02300
PSA 98.99000
LogP 3.27590
Index of Refraction 1.594
InChIKey ONDWCCQQWAIQRH-UHFFFAOYSA-N
SMILES CCOC(=O)c1c(N=C=S)sc(C)c1C

 Safety Information

HS Code 2934999090

 Synthetic Route

~98%

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate Structure

ethyl 2-isothio...

CAS#:85716-85-4

Literature: SENOMYX, INC. Patent: US2008/306053 A1, 2008 ; Location in patent: Page/Page column 67 ;

~72%

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate Structure

ethyl 2-isothio...

CAS#:85716-85-4

Literature: Santagati, Andrea; Granata, Giuseppe; Santagati, Maria; Cutuli, Vincenza; Mangano, Nunzio Guido; Caruso, Antonina Arzneimittel-Forschung/Drug Research, 2002 , vol. 52, # 6 p. 448 - 454

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-isothiocyanato-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
ethyl 4,5-dimethyl-2-isotiocyanatothiophene-3-carboxylate
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