Basic information
- CAS
83075-05-2- Standard SMILES
CC1(CC(=O)c2ccccc2)SCCS1- InChIKey
XIDQUTSKKIKAMK-UHFFFAOYSA-N- Molecular formula
- C12H14OS2
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.04860741
Names & identifiers
- Preferred name
- Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-
- IUPAC
- 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenylethanone
Names & synonyms
83075-05-2DTXSID40423638Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-RefChem:341367DTXCID603744762-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone2-(2-methyl-1,3-dithiolan-2-yl)-1-phenylethan-1-oneXIDQUTSKKIKAMK-UHFFFAOYSA-N
Database identifiers
- CAS
83075-05-2- PubChem CID
- 6421990
- DTXSID
DTXSID40423638- Nikkaji
- J1.716.135K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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