Basic information
- CAS
76-20-0- Standard SMILES
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC- InChIKey
LKACJLUUJRMGFK-UHFFFAOYSA-N- Molecular formula
- C8H18O4S2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.0646514
Overview
Methylsulfonal is a dithioketal.
Names & identifiers
- Preferred name
- Sulfonethylmethane
- IUPAC
- 2,2-bis(ethylsulfonyl)butane
- English name
- methylsulphonal
- Molecular formula
- C8H18O4S2
- Molecular weight
- 242.36
Names & synonyms
SulfonethylmethaneMethylsulfonal2,2-Bis(ethylsulfonyl)butaneMethylsulphonalTRIONALTrionalonMetilosulfonal76-20-0DiethylsulfonmethylethylmethaneSulfonethylmethanumMethylsulfonalumSulphonethylmethane
Show more names
EthylsulfonalethylsulphonalMethyl sulfonal2,2-bis(ethylsulphonyl)butanemethylethyl ketone diethylsulfone
DTXSID7046411Sulfonethylmethane [NF]NSC 3994NSC-3994EINECS 200-942-4BRN 1785184Butane, 2,2-bis(ethylsulfonyl)-UNII-217727W28W
Database identifiers
- CAS
76-20-0- PubChem CID
- 6433
- DTXSID
DTXSID7046411- ChEMBL
CHEMBL1990189- ChEBI
CHEBI:134987- UNII
- 217727W28W
- EC Number
- 200-942-4
- Nikkaji
- J2.403A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Chemical ClassesStimulant
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
DEA Schedule III Controlled Substance -> Depressants
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Melting point
- 74 · 74-76°
- Boiling point
- 355.18 °C · 355.18°C (rough estimate)
- Density
- 1.3634 · 1.3634 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- Water Solubility
- 5 g/L · 5g/L(16 ºC)
- FDA UNII
- 217727 W28W · 217727W28W
- DEA Controlled Substances
- 2605 CSA · CSCN: 2605CSA SCH: Schedule IIINARC: No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationDEA schedule III controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 2605CSA SCH: Schedule IIINARC: No
Chemistry & industry
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: Methylsulfonal is a dithioketal.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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