Thioanisole

• Catalog Number: ACM100685
• Product Name: Thioanisole
• CAS: 100-68-5
• Category: Heterocyclic Organic Compound
• Synonyms: (1-Thiaethyl)benzene
• IUPAC Name: Methylsulfanylbenzene
• Molecular Weight: 124.21
• Molecular Formula: C₇H₈S
• Canonical SMILES: CSC1=CC=CC=C1
• InChI: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N
• Boiling Point: 188 °C
• Melting Point: -15 °C
• Flash Point: 135 °F
• Density: 1.057 g/mL at 20 °C(lit.)
• Solubility: Insoluble in water; soluble in alcohol and oil
• Exact Mass: 124.03467143
• Monoisotopic Mass: 124.03467143
• Physical State: Liquid
• Refractive Index: n20/D 1.587(lit.)
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 25.3 Ų