Basic information
- CAS
2180-20-3- Standard SMILES
CCCCCCS(=O)CCCCCC- InChIKey
DLEXINLCPPEMMI-UHFFFAOYSA-N- Molecular formula
- C12H26OS
- Average molar mass
- 218.4 g/mol
- Monoisotopic mass
- 218.17043662
Names & identifiers
- Preferred name
- Hexyl sulfoxide
- IUPAC
- 1-hexylsulfinylhexane
Names & synonyms
HEXYL SULFOXIDEDi-n-hexyl sulfoxideDihexyl sulfoxide2180-20-3Hexane, 1,1'-sulfinylbis-Di-n-hexyl sulfoxidDi-n-hexyl sulfoxid [German]BRN 1762083DTXSID001762144-01-00-01706 (Beilstein Handbook Reference)Dinhexyl sulfoxidDinhexyl sulfoxide
Show more names
RefChem:788305Hexane, 1,1'sulfinylbisDTXCID10987051-(hexane-1-sulfinyl)hexaneSCHEMBL625967
Database identifiers
- CAS
2180-20-3- PubChem CID
- 16593
- DTXSID
DTXSID00176214- Nikkaji
- J475.519G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses dyspnea in intraperitoneal lethal-dose studies of rats (LD50 = 680 mg/kg); [RTECS] See Dimethyl sulfoxide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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