3-[(2-Hydroxyethyl)Sulfanyl]-6,6-Dimethyl-1-(1,3-Thiazol-2-Yl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
[CAS# 207306-50-1]

Identification

• Name: 3-[(2-Hydroxyethyl)Sulfanyl]-6,6-Dimethyl-1-(1,3-Thiazol-2-Yl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
• Synonyms: [207306-50-1]; 3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-thiazol-2-yl-6,7-dihydro-5H-benzo[c]thiophen-4-one; 6,7-Dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-benzo[c]thiophen-4(5H)-one
• Molecular Formula: C₁₅H₁₇NO₂S₃
• Molecular Weight: 339.50
• CAS Registry Number: 207306-50-1
• SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C3=NC=CS3)C
• InChI: 1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3
• InChIKey: QILRYFCEXLFIDS-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 544.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 283.3±32.9°C (Cal.)
• Refractive index: 1.665 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 25 mM in ethanol