3-(Methylsulfanyl)-4-Oxo-4,5,6,7-Tetrahydro-2-Benzothiophene-1-Carbothioamide
[CAS# 499771-14-1]

Identification

• Name: 3-(Methylsulfanyl)-4-Oxo-4,5,6,7-Tetrahydro-2-Benzothiophene-1-Carbothioamide
• Synonyms: 1-(aminothioxomethyl)-3-methylthio-5,6,7-trihydrobenzo[2,1-c]thiophen-4-one; Maybridge1_004799; ZINC04284553
• Molecular Formula: C₁₀H₁₁NOS₃
• Molecular Weight: 257.40
• CAS Registry Number: 499771-14-1
• SMILES: S=C(c1sc(SC)c2c1CCCC2=O)N
• InChI: 1S/C10H11NOS3/c1-14-10-7-5(3-2-4-6(7)12)8(15-10)9(11)13/h2-4H2,1H3,(H2,11,13)
• InChIKey: IEUWALWIZVDMIG-UHFFFAOYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 472.15°C at 760 mmHg (Cal.)
• Flash point: 239.348°C (Cal.)
• Refractive index: 1.705 (Cal.)