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

Base Information

• Chemical Name: Ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate
• CAS No.: 85716-85-4
• Molecular Formula: C10H11NO2S2
• Molecular Weight: 241.3298
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70392323
• Nikkaji Number: J1.586.611J
• Mol file: 85716-85-4.mol

Synonyms:ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate;85716-85-4;SCHEMBL1620073;DTXSID70392323;ONDWCCQQWAIQRH-UHFFFAOYSA-N;AKOS000122535;EN300-01271;2-Isothiocyanato-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester

Chemical Property of Ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 4.14E-06mmHg at 25°C
• Boiling Point: 384.3°Cat760mmHg
• Flash Point: 186.2°C
• PSA: 98.99000
• Density: 1.24g/cm³
• LogP: 3.27590
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 241.02312094
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1C)C)N=C=S