3-(2,2-Dioxido-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile
[CAS# 736178-12-4]

Identification

• Name: 3-(2,2-Dioxido-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile
• Synonyms: 3-(2,2-dioxido-1,3-dihydrobenzo[c]isothiazol-3-yl)propanenitrile
• Molecular Formula: C₁₀H₁₀N₂O₂S
• Molecular Weight: 222.26
• CAS Registry Number: 736178-12-4
• SMILES: C1=CC=C2C(=C1)C(S(=O)(=O)N2)CCC#N
• InChI: 1S/C10H10N2O2S/c11-7-3-6-10-8-4-1-2-5-9(8)12-15(10,13)14/h1-2,4-5,10,12H,3,6H2
• InChIKey: IOFGXEZWUABKDA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 409.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 201.4±31.5°C (Cal.)
• Refractive index: 1.574 (Cal.)