Methyl 2-Isothiocyanato-5,6-Dihydro-4H-Cyclopenta[b]Thiophene-3-Carboxylate
[CAS# 588676-82-8]

Identification

• Name: Methyl 2-Isothiocyanato-5,6-Dihydro-4H-Cyclopenta[b]Thiophene-3-Carboxylate
• Synonyms: methyl 2-isothiocyanato-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylate; Methyl 2-isothiocyanato-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate; MFCD03943804
• Molecular Formula: C₁₀H₉NO₂S₂
• Molecular Weight: 239.31
• CAS Registry Number: 588676-82-8
• SMILES: COC(=O)C1=C(SC2=C1CCC2)N=C=S
• InChI: 1S/C10H9NO2S2/c1-13-10(12)8-6-3-2-4-7(6)15-9(8)11-5-14/h2-4H2,1H3
• InChIKey: MLQNTNQQEVSUPE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 426.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 211.8±28.7°C (Cal.)
• Refractive index: 1.687 (Cal.)

Safety Data

• Safety Description: IRRITANT