7,7-Bis(Benzylsulfanyl)Heptane-1,2,3,4,5,6-Hexol
[CAS# 7599-15-7]

Identification

• Name: 7,7-Bis(Benzylsulfanyl)Heptane-1,2,3,4,5,6-Hexol
• Synonyms: 7,7-Bis(Phenylmethylthio)Heptane-1,2,3,4,5,6-Hexol; 7,7-Bis(Benzylthio)Heptane-1,2,3,4,5,6-Hexol; Nsc405941
• Molecular Formula: C₂₁H₂₈O₆S₂
• Molecular Weight: 440.57
• CAS Registry Number: 7599-15-7
• SMILES: C1=C(C=CC=C1)CSC(C(C(O)C(O)C(C(CO)O)O)O)SCC2=CC=CC=C2
• InChI: 1S/C21H28O6S2/c22-11-16(23)17(24)18(25)19(26)20(27)21(28-12-14-7-3-1-4-8-14)29-13-15-9-5-2-6-10-15/h1-10,16-27H,11-13H2
• InChIKey: NJCIDBPNLIYTGQ-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 753.644°C at 760 mmHg (Cal.)
• Flash point: 364.395°C (Cal.)