Basic information
- CAS
4756-21-2- Standard SMILES
OCCCSCCSCCCO- InChIKey
GBZDOXLAUOJYPB-UHFFFAOYSA-N- Molecular formula
- C8H18O2S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.07482216
Names & identifiers
- Preferred name
- 1-Propanol, 3,3'-[1,2-ethanediylbis(thio)]bis-
- IUPAC
- 3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol
- English name
- 3,3'-[1,2-Ethanediylbis(thio)]bis-1-propanol
- Molecular formula
- C8H18O2S2
- Molecular weight
- 210.36
Names & synonyms
4756-21-21-Propanol, 3,3'-[1,2-ethanediylbis(thio)]bis-3-[2-(3-hydroxypropylsulfanyl)ethylsulfanyl]propan-1-ol3,3'-[1,2-ETHANEDIYLBIS(THIO)]BIS-1-PROPANOL4,7-dithia-1,10-decanediolSCHEMBL2058370DTXSID00338315AKOS0158397953,3'-[Ethane-1,2-diylbis(sulfanediyl)]di(propan-1-ol)3-((2-[(3-Hydroxypropyl)sulfanyl]ethyl)sulfanyl)-1-propanol #
Database identifiers
- CAS
4756-21-2- PubChem CID
- 548322
- DTXSID
DTXSID00338315- Nikkaji
- J803.169J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 71.5
Physicochemical properties
- Melting point
- 49 · 49-52 °C(Solv: benzene (71-43-2))
- Boiling point
- 352.6 · 352.6±22.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Related reactions
1 records
Compound notes
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