1,4:3,6-Dianhydro-2,5-di-s-dodecyl-2,5-dithiohexitol
Basic information
- CAS
6338-39-2- Standard SMILES
CCCCCCCCCCCCSC1COC2C(SCCCCCCCCCCCC)COC12- InChIKey
NFAGXCPDXLESAQ-UHFFFAOYSA-N- Molecular formula
- C30H58O2S2
- Average molar mass
- 514.9 g/mol
- Monoisotopic mass
- 514.38782344
Names & identifiers
- Preferred name
- 1,4:3,6-Dianhydro-2,5-di-s-dodecyl-2,5-dithiohexitol
- IUPAC
- 3,6-bis(dodecylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Names & synonyms
6338-39-21,4:3,6-dianhydro-2,5-di-s-dodecyl-2,5-dithiohexitolNSC40734DTXSID80979543NSC-40734
Database identifiers
- CAS
6338-39-2- PubChem CID
- 237329
- DTXSID
DTXSID80979543
Properties
Computed structural properties
- XLogP
- 12.2
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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