Pentane, 1,5-bis(ethylthio)-
Basic information
- CAS
54815-22-4- Standard SMILES
CCSCCCCCSCC- InChIKey
OHQCQYMEDAANNT-UHFFFAOYSA-N- Molecular formula
- C9H20S2
- Average molar mass
- 192.4 g/mol
- Monoisotopic mass
- 192.10064299
Names & identifiers
- Preferred name
- Pentane, 1,5-bis(ethylthio)-
- IUPAC
- 1,5-bis(ethylsulfanyl)pentane
- English name
- 3,9-Dithiaundecane
- Molecular formula
- C9H20S2
- Molecular weight
- 192.39
Names & synonyms
Pentane, 1,5-bis(ethylthio)-54815-22-4DTXSID50339216RefChem:368090DTXCID50290297OHQCQYMEDAANNT-UHFFFAOYSA-N3,9-Dithiaundecane1,5-Bis(ethylsulfanyl)pentaneSCHEMBL90079151,5-Bis(ethylsulfanyl)pentane #DB-3043041,5-Bis(ethylthio)pentane
Database identifiers
- CAS
54815-22-4- PubChem CID
- 554590
- DTXSID
DTXSID50339216- Nikkaji
- J103.943A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 56.6
Physicochemical properties
- Boiling point
- 263.9 · 263.9±23.0 °C(Predicted)
- Density
- 0.938 · 0.938±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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