6-Methyl-1,3-benzothiazol-2-yl thiocyanate
[CAS# 99066-89-4]

Identification

• Name: 6-Methyl-1,3-benzothiazol-2-yl thiocyanate
• Synonyms: 6-methyl-2-thiocyanatobenzo[d]thiazole
• Molecular Formula: C₉H₆N₂S₂
• Molecular Weight: 206.29
• CAS Registry Number: 99066-89-4
• SMILES: CC1=CC2=C(C=C1)N=C(S2)SC#N
• InChI: 1S/C9H6N2S2/c1-6-2-3-7-8(4-6)13-9(11-7)12-5-10/h2-4H,1H3
• InChIKey: BXCBREZFAZDXNC-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 359.3±35.0°C at 760 mmHg (Cal.)
• Flash point: 171.1±25.9°C (Cal.)