Benzyl sulfide

• Catalog Number: ACM538749
• Product Name: Benzyl sulfide
• CAS: 538-74-9
• Category: Heterocyclic Organic Compound
• Synonyms: Dibenzyl sulphide
• IUPAC Name: Benzylsulfanylmethylbenzene
• Molecular Weight: 214.33
• Molecular Formula: C₁₄H₁₄S
• Canonical SMILES: C1=CC=C(C=C1)CSCC2=CC=CC=C2
• InChI: InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChI Key: LUFPJJNWMYZRQE-UHFFFAOYSA-N
• Boiling Point: 131 °C
• Melting Point: 44-47 °C
• Flash Point: >110 °C
• Density: 1.088 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in ethanol, ether
• Appearance: beige crystals or powder with an unpleasant smell
• EC Number: 208-703-6
• Exact Mass: 214.08162162
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Monoisotopic Mass: 214.08162162
• Physical State: Crystals
• Refractive Index: n20/D 1.617(lit.)
• Safety Description: S22-S24/25
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• Storage Conditions: 0-10 °C
• Topological Polar Surface Area: 25.3 Ų
• UN Number: 3335
• WGK Germany: 2