6,6-Bis(methylsulfanyl)hexane-1,2,3,4,5-pentol
Basic information
- CAS
33156-16-0- Standard SMILES
CSC(SC)C(O)C(O)C(O)C(O)CO- InChIKey
FKDYDJWEBMISBK-UHFFFAOYSA-N- Molecular formula
- C8H18O5S2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.05956602
Names & identifiers
- Preferred name
- 6,6-Bis(methylsulfanyl)hexane-1,2,3,4,5-pentol
- IUPAC
- 6,6-bis(methylsulfanyl)hexane-1,2,3,4,5-pentol
Names & synonyms
NSC17025533156-16-06,6-bis(methylsulfanyl)hexane-1,2,3,4,5-pentolSCHEMBL6675883DTXSID50305330NSC-170255
Database identifiers
- CAS
33156-16-0- PubChem CID
- 298312
- DTXSID
DTXSID50305330
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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