Basic information
- CAS
99643-54-6- Standard SMILES
CC1(C)Sc2cc3ccccc3cc2S1- InChIKey
JYWBQDDSCYJAIA-UHFFFAOYSA-N- Molecular formula
- C13H12S2
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.03804273
Names & identifiers
- Preferred name
- 2,2-Dimethylnaphtho(2,3-d)-1,3-dithiole
- IUPAC
- 2,2-dimethylbenzo[f][1,3]benzodithiole
Names & synonyms
2,2-Dimethylnaphtho(2,3-d)-1,3-dithiole99643-54-62,2-Dimethylnaphtho[2,3-d]-1,3-dithioleDTXSID402441832,2-Dimethyl-2H-naphtho[2,3-d][1,3]dithiole
Database identifiers
- CAS
99643-54-6- PubChem CID
- 145352
- DTXSID
DTXSID40244183
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…