1-(2-Methyl-1,3-dithiolan-2-yl)ethan-1-one
Basic information
- CAS
33266-07-8- Standard SMILES
CC(=O)C1(C)SCCS1- InChIKey
CZFIROOFEBLGGD-UHFFFAOYSA-N- Molecular formula
- C6H10OS2
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.01730729
Names & identifiers
- Preferred name
- 1-(2-Methyl-1,3-dithiolan-2-yl)ethan-1-one
- IUPAC
- 1-(2-methyl-1,3-dithiolan-2-yl)ethanone
- English name
- Ethanone, 1-(2-methyl-1,3-dithiolan-2-yl)- (9CI)
- Molecular formula
- C6H10OS2
- Molecular weight
- 162.273
Names & synonyms
33266-07-8DTXSID209549101-(2-Methyl-1,3-dithiolan-2-yl)ethan-1-oneRefChem:1054004DTXCID3013829192-Acetyl-2-methyl-1,3-dithiolane1,3-DITHIOLANE, 2-ACETYL-2-METHYL-Ketone, methyl 2-methyl-1,3-dithiolan-2-ylEthanone, 1-(2-methyl-1,3-dithiolan-2-yl)-BRN 43065205-19-04-00040 (Beilstein Handbook Reference)CZFIROOFEBLGGD-UHFFFAOYSA-N
Show more names
1-(2-Methyl-1,3-dithiolan-2-yl)ethanoneEthanone, 1-(2-methyl-1,3-dithiolan-2-yl)- (9CI)
DB-2869631-(2-Methyl-1,3-dithiolan-2-yl)ethanone #
Database identifiers
- CAS
33266-07-8- PubChem CID
- 36394
- DTXSID
DTXSID20954910- Nikkaji
- J91.135F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 259 °C · 259°C (rough estimate)
- Density
- 1.138 · 1.138 (estimate)
- refractive index
- 1.561 · 1.5610 (estimate)
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Related reactions
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Compound notes
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