Basic information
- CAS
5340-10-3- Standard SMILES
CCCCCCCCCCCCSC(SCCCCCCCCCCCC)SCCCCCCCCCCCC- InChIKey
MEBQXNNXJGAXLY-UHFFFAOYSA-N- Molecular formula
- C37H76S3
- Average molar mass
- 617.2 g/mol
- Monoisotopic mass
- 616.51091594
Names & identifiers
- Preferred name
- 1-[Bis(dodecylsulfanyl)methylsulfanyl]dodecane
- IUPAC
- 1-[bis(dodecylsulfanyl)methylsulfanyl]dodecane
Names & synonyms
5340-10-31-[bis(dodecylsulfanyl)methylsulfanyl]dodecane1-{[bis(dodecylsulfanyl)methyl]sulfanyl}dodecaneNSC862DTXSID90277103NSC-862TRITHIOORTHOFORMIC ACID, TRIDODECYL ESTER
Database identifiers
- CAS
5340-10-3- PubChem CID
- 219481
- DTXSID
DTXSID90277103- Nikkaji
- J2.219.066K
Properties
Computed structural properties
- XLogP
- 19.2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 36
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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