2,2-Dimethylnaphtho(1,8-de)-1,3-dithiin
Basic information
- CAS
99643-53-5- Standard SMILES
CC1(C)Sc2cccc3cccc(c23)S1- InChIKey
YMOBAZIQGKOUMM-UHFFFAOYSA-N- Molecular formula
- C13H12S2
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.03804273
Names & identifiers
- Preferred name
- 2,2-Dimethylnaphtho(1,8-de)-1,3-dithiin
- IUPAC
- 3,3-dimethyl-2,4-dithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
Names & synonyms
2,2-Dimethylnaphtho(1,8-de)-1,3-dithiin99643-53-52,2-Dimethylnaphtho[1,8-de]-1,3-dithiinDTXSID802441822,2-Dimethyl-2H-naphtho[1,8-de][1,3]dithiine
Database identifiers
- CAS
99643-53-5- PubChem CID
- 145351
- DTXSID
DTXSID80244182
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
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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