ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate

Modify Date: 2026-07-15 14:56:42

ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate Structure
ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate structure
Common Name ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate
CAS Number 116170-90-2 Molecular Weight 242.31800
Density 1.37g/cm3 Boiling Point 447.3ºC at 760mmHg
Molecular Formula C9H10N2O2S2 Melting Point N/A
MSDS N/A Flash Point 224.3ºC

 Names

Name ethyl 3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 447.3ºC at 760mmHg
Molecular Formula C9H10N2O2S2
Molecular Weight 242.31800
Flash Point 224.3ºC
Exact Mass 242.01800
PSA 129.65000
LogP 2.68178
Vapour Pressure 3.41E-08mmHg at 25°C
Index of Refraction 1.615
InChIKey BMYKQPLSSCCDQS-UHFFFAOYSA-N
SMILES CCOC(=O)c1sc(SC)c(C#N)c1N

 Safety Information

Hazard Codes T+
HS Code 2934999090

 Synthetic Route

~99%

ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate Structure

ethyl 3-amino-4...

CAS#:116170-90-2

Learn More
Literature: MILLENNIUM PHARMACEUTICALS, INC.; TAKEDA PHARMACEUTICAL COMPANY LIMITED; BANNO, Hiroshi; HIROSE, Masaaki; KURASAWA, Osamu; LANGSTON, Steven, P.; MIZUTANI, Hirotake; SHI, Zhan; VISIERS, Irache; VOS, Tricia, J.; VYSKOCIL, Stepan Patent: WO2010/90716 A1, 2010 ; Location in patent: Page/Page column 217-218 ;

~94%

ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate Structure

ethyl 3-amino-4...

CAS#:116170-90-2

Learn More
Literature: Aventis Pharma S.A. Patent: US2008/146542 A1, 2008 ; Location in patent: Page/Page column 18 ;

~%

ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate Structure

ethyl 3-amino-4...

CAS#:116170-90-2

Learn More
Literature: Luo, Laichun; Meng, Lanlan; Sun, Qi; Ge, Zemei; Li, Runtao Tetrahedron Letters, 2014 , vol. 55, # 1 p. 259 - 263

~%

ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate Structure

ethyl 3-amino-4...

CAS#:116170-90-2

Learn More
Literature: Heterocycles, , vol. 27, # 10 p. 2539 - 2544

 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%

 Bioassay

View more

Name: In vitro for antifungal activity against Sporothrix schenck ii (SS-1)
Source: ChEMBL
Target: Sporothrix schenckii
External Id: CHEMBL806536
Name: Antifungal activity against Aspergillus fumigatus (AF-27)
Source: ChEMBL
Target: Aspergillus fumigatus
External Id: CHEMBL652271
Name: Antifungal activity against Candida albicans (SKF)
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL657093
Name: Antifungal activity against Cryptococcus neoformans (CN-17)
Source: ChEMBL
Target: Cryptococcus neoformans
External Id: CHEMBL660442
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
Name: An vitro anti-leishmanial activity against Leishmania donovani promastigotes (25 uM)
Source: ChEMBL
Target: Leishmania donovani
External Id: CHEMBL711871
Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
Name: In vitro for antifungal activity against Trichophyton mentagrophytes (A-280)
Source: ChEMBL
Target: Trichophyton benhamiae
External Id: CHEMBL815597
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 Synonyms

ethyl 3-amino-4-cyano-5-(methylsulfanyl)thiophene-2-carboxylate
3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid ethyl ester
2-Thiophenecarboxylicacid,3-amino-4-cyano-5-(methylthio)-,ethyl ester
3-amino-4-cyano-5-methylthio-2-thiophenecarboxylic acid ethyl ester
ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate
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