Basic information
- CAS
5329-53-3- Standard SMILES
CCSC(SCC)C(O)C(O)C(O)C(O)C(O)C(O)CO- InChIKey
ZSEWRIVLPSASIS-UHFFFAOYSA-N- Molecular formula
- C12H26O7S2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.11199551
Names & identifiers
- Preferred name
- 8,8-Bis-ethylsulfanyl-octane-1,2,3,4,5,6,7-heptaol
- IUPAC
- 8,8-bis(ethylsulfanyl)octane-1,2,3,4,5,6,7-heptol
Names & synonyms
8,8-Bis-ethylsulfanyl-octane-1,2,3,4,5,6,7-heptaol5329-53-3NSC2565NSC 25658,8-bis(ethylsulfanyl)octane-1,2,3,4,5,6,7-heptolNSC-2565D-ERYTHRO-L-GALACTO-OCTOSE, DIETHYL MERCAPTAL
Database identifiers
- CAS
5329-53-3- PubChem CID
- 220194
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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