Basic information
- CAS
18365-74-7- Standard SMILES
CCCCCCCCCCSCCCSCCCCCCCCCC- InChIKey
SCXCPNGTQSWZFG-UHFFFAOYSA-N- Molecular formula
- C23H48S2
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.31974388
Names & identifiers
- Preferred name
- 11,15-Dithiapentacosane
- IUPAC
- 1-(3-decylsulfanylpropylsulfanyl)decane
- English name
- 11,15-Dithiapentacosane
- Molecular formula
- C23H48S2
- Molecular weight
- 388.76
Names & synonyms
11,15-DITHIAPENTACOSANE18365-74-7BRN 1910168DTXSID30171459RefChem:236120DTXCID20939501-(3-decylsulfanylpropylsulfanyl)decane1-{[3-(decylsulfanyl)propyl]sulfanyl}decaneDecane, 1-[[3-(decylthio)propyl]thio]-
Database identifiers
- CAS
18365-74-7- PubChem CID
- 29043
- DTXSID
DTXSID30171459- Nikkaji
- J42.235E
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 22
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 35 · 35-35.6 °C
- Boiling point
- 481.1 · 481.1±28.0 °C(Predicted)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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