3,3-Bis(ethylsulfonyl)pentane
Basic information
- CAS
2217-59-6- Standard SMILES
CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC- InChIKey
VTZYVPLHCQBWSP-UHFFFAOYSA-N- Molecular formula
- C9H20O4S2
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.08030146
Overview
Sulfondiethylmethane is a DEA Schedule III controlled substance. Substances in the DEA Schedule III have a potential for abuse less than substances in Schedules I or II and abuse may lead to moderate or low physical dependence or high psychological dependence. It is a Depressants substance.
Names & identifiers
- Preferred name
- 3,3-Bis(ethylsulfonyl)pentane
- IUPAC
- 3,3-bis(ethylsulfonyl)pentane
- English name
- tetronal
- Molecular formula
- C9H20O4S2
- Molecular weight
- 256.38
Names & synonyms
Tetronal3,3-Bis(ethylsulfonyl)pentane2217-59-65XG2X0OW34DTXSID10176705RefChem:188943DTXCID6099196SulfonyldiethylmethaneUNII-5XG2X0OW34Sulfondiethylmethane3,3-Di(ethanesulfonyl)pentaneSCHEMBL1419223
Show more names
Pentane, 3,3-bis(ethylsulfonyl)-NS00126125Q7706815
Database identifiers
- CAS
2217-59-6- PubChem CID
- 75197
- DTXSID
DTXSID10176705- UNII
- 5XG2X0OW34
- Nikkaji
- J21.364K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
DEA Schedule III Controlled Substance -> Depressants
Physicochemical properties
- Boiling point
- 452.4 · 452.4±28.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- FDA UNII
- 5 XG2X0OW34 · 5XG2X0OW34
- DEA Controlled Substances
- 2600 CSA · CSCN: 2600CSA 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.
Hazard information
Regulatory InformationDEA schedule III controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 2600CSA SCH: Schedule IIINARC: No
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Related reactions
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Compound notes
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