2-Hexylsulfanylbenzothiazole
[CAS# 57050-78-9]

Identification

• Name: 2-Hexylsulfanylbenzothiazole
• Synonyms: 2-(Hexylthio)-1,3-Benzothiazole; 2-Hexylthiobenzothiazole; Benzothiazole, 2-(Hexylthio)-
• Molecular Formula: C₁₃H₁₇NS₂
• Molecular Weight: 251.40
• CAS Registry Number: 57050-78-9
• SMILES: C2=C1N=C(SC1=CC=C2)SCCCCCC
• InChI: 1S/C13H17NS2/c1-2-3-4-7-10-15-13-14-11-8-5-6-9-12(11)16-13/h5-6,8-9H,2-4,7,10H2,1H3
• InChIKey: LLAUXKHRACJDDF-UHFFFAOYSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 368.121°C at 760 mmHg (Cal.)
• Flash point: 176.434°C (Cal.)