Basic information
- CAS
5416-14-8- Standard SMILES
OCCSCCCCCCSCCO- InChIKey
TUWUPOYDYIRWEI-UHFFFAOYSA-N- Molecular formula
- C10H22O2S2
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.10612229
Names & identifiers
- Preferred name
- 2,2'-(Hexane-1,6-diylbis(thio))bisethanol
- IUPAC
- 2-[6-(2-hydroxyethylsulfanyl)hexylsulfanyl]ethanol
- English name
- 2,2'-[hexane-1,6-diylbis(thio)]bisethanol
- Molecular formula
- C10H22O2S2
- Molecular weight
- 238.41048
Names & synonyms
5416-14-82,2'-(Hexane-1,6-diylbis(thio))bisethanol2,2'-[Hexane-1,6-diylbis(thio)]bisethanolNSC11347EINECS 226-510-5SCHEMBL5170349DTXSID20202504TUWUPOYDYIRWEI-UHFFFAOYSA-NNSC 11347NSC-11347AKOS024354413NS00032980
Show more names
2,2'-(Hexamethylenebisthio)diethanol2,2'-[1,6-Hexanediylbis(thio)]bisethanol2-[6-(2-hydroxyethylthio)hexylthio]ethanolEthanol, 2,2'-[1,6-hexanediylbis(thio)]bis-2-[6-(2-hydroxyethylsulfanyl)hexylsulfanyl]ethanol
ST509810662-[6-(2-hydroxyethylthio)hexylthio]ethan-1-ol2,2'-[Hexane-1,6-diylbis(sulfanediyl)]di(ethan-1-ol)
Database identifiers
- CAS
5416-14-8- PubChem CID
- 79440
- DTXSID
DTXSID20202504- EC Number
- 226-510-5
- Nikkaji
- J217.987C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 90.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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