1-[(2-{[2-(Heptylsulfanyl)ethyl]sulfanyl}ethyl)sulfanyl]heptane
Basic information
- CAS
60810-45-9- Standard SMILES
CCCCCCCSCCSCCSCCCCCCC- InChIKey
AEZXUDMFVLEBPN-UHFFFAOYSA-N- Molecular formula
- C18H38S3
- Average molar mass
- 350.7 g/mol
- Monoisotopic mass
- 350.21356473
Names & identifiers
- Preferred name
- 1-[(2-{[2-(Heptylsulfanyl)ethyl]sulfanyl}ethyl)sulfanyl]heptane
- IUPAC
- 1-[2-(2-heptylsulfanylethylsulfanyl)ethylsulfanyl]heptane
Names & synonyms
1-[(2-{[2-(heptylsulfanyl)ethyl]sulfanyl}ethyl)sulfanyl]heptaneNSC14757360810-45-9DTXSID20301945NSC-147573
Database identifiers
- CAS
60810-45-9、6130-56-9- PubChem CID
- 287520
- DTXSID
DTXSID20301945
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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