3,7-Dithia-1,9-nonanediol

• CAS: 16260-48-3
• Catalog Number: ACM-MO-16260483
• Category: Other Products; Diol Monomers
• Molecular Weight: 196.32 g/mol
• Molecular Formula: C7H16O2S2
• Synonyms: 1,3-Bis(2-hydroxyethylthio)propane;; 2,2'-(Trimethylenedithio)diethanol
• IUPAC Name: 2-[3-(2-hydroxyethylsulfanyl)propylsulfanyl]ethanol
• Canonical SMILES: C(CSCCO)CSCCO
• InChI: InChI=1S/C7H16O2S2/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2
• InChI Key: JIJWGPUMOGBVMQ-UHFFFAOYSA-N
• Flash Point: 185 °C
• Appearance: Colorless to Light Orange to Yellow Clear Liquid to Slightly Cloudy Liquid
• Complexity: 63.5
• Covalently-Bonded Unit Count: 1
• Exact Mass: 196.059172g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 196.059172g/mol
• NSC Number: 650634
• Physical State: Liquid
• Refractive Index: 1.55
• Rotatable Bond Count: 8
• Specific Gravity: 1.18
• XLogP3: 0.4