6-Oxa-3,9-dithiaundecane
Basic information
- CAS
5648-30-6- Standard SMILES
CCSCCOCCSCC- InChIKey
NZLCDJADEWGUAX-UHFFFAOYSA-N- Molecular formula
- C8H18OS2
- Average molar mass
- 194.4 g/mol
- Monoisotopic mass
- 194.07990754
Names & identifiers
- Preferred name
- 6-Oxa-3,9-dithiaundecane
- IUPAC
- 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane
- English name
- 6-Oxa-3,9-dithiaundecane
- Molecular formula
- C8H18OS2
- Molecular weight
- 194.36
Names & synonyms
6-Oxa-3,9-dithiaundecane5648-30-6SBB0573862-ethylthio-1-(2-ethylthioethoxy)ethaneEther, bis[2-(ethylthio)ethyl]Ethane, 1,1'-oxybis[2-(ethylthio)-Tinidazole Impurity 271-(Ethylsulfanyl)-2-[2-(ethylsulfanyl)ethoxy]ethaneSCHEMBL5445934DTXSID40339967NZLCDJADEWGUAX-UHFFFAOYSA-NAKOS024365438
Show more names
Diethyl ether, 2,2'-bis(ethylthio)-ST509984081-(Ethylsulfanyl)-2-[2-(ethylsulfanyl)ethoxy]ethane #
Database identifiers
- CAS
5648-30-6- PubChem CID
- 560429
- DTXSID
DTXSID40339967- Nikkaji
- J104.051K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 61.1
Physicochemical properties
- Boiling point
- 275.1 · 275.1±25.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
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Compound notes
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