2-Propyl-4H-3,1-Benzoxathiin-4-One
[CAS# 6629-33-0]

Identification

• Name: 2-Propyl-4H-3,1-Benzoxathiin-4-One
• Synonyms: Nsc58106; Aids125001; Nsc 58106
• Molecular Formula: C₁₁H₁₂O₂S
• Molecular Weight: 208.27
• CAS Registry Number: 6629-33-0
• SMILES: C1=CC=CC2=C1C(OC(S2)CCC)=O
• InChI: 1S/C11H12O2S/c1-2-5-10-13-11(12)8-6-3-4-7-9(8)14-10/h3-4,6-7,10H,2,5H2,1H3
• InChIKey: ORSQFKFICRADEJ-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 363.325°C at 760 mmHg (Cal.)
• Flash point: 181.055°C (Cal.)