Basic information
- CAS
17700-32-2- Standard SMILES
CCCCSCCS(=O)(=O)CCSCCCC- InChIKey
KTFQVFCGWXDUGQ-UHFFFAOYSA-N- Molecular formula
- C12H26O2S3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.10949359
Names & identifiers
- Preferred name
- Sulfone, bis(2-(butylthio)ethyl)
- IUPAC
- 1-[2-(2-butylsulfanylethylsulfonyl)ethylsulfanyl]butane
Names & synonyms
Sulfone, bis(2-(butylthio)ethyl)Bis(2-(butylthio)ethyl)sulfoneBRN 1786180Bis(beta-butylmercaptoethyl)sulfone17700-32-2DTXSID201702392-01-00-00533 (Beilstein Handbook Reference)RefChem:382582DTXCID60927301-({2-[2-(Butylsulfanyl)ethanesulfonyl]ethyl}sulfanyl)butane
Database identifiers
- CAS
17700-32-2- PubChem CID
- 205255
- DTXSID
DTXSID20170239
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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