Basic information
- CAS
35437-21-9- Standard SMILES
CC1=C2CCCC3=C(C)SS(=C23)S1- InChIKey
RDFWWRFBKSQKLI-UHFFFAOYSA-N- Molecular formula
- C10H12S3
- Average molar mass
- 228.4 g/mol
- Monoisotopic mass
- 228.0101139
Names & identifiers
- Preferred name
- 3H-(1,2)Dithiolo(4,5,1-hi)(1,2)benzodithiole-8-s(iv), 4,5-dihydro-2,6-dimethyl-
- IUPAC
- 2,6-dimethyl-3,4λ4,5-trithiatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene
Names & synonyms
35437-21-93H-(1,2)Dithiolo(4,5,1-hi)(1,2)benzodithiole-8-s(iv), 4,5-dihydro-2,6-dimethyl-RefChem:282888DTXSID709568433H-[1,2]Dithiolo[4,5,1-hi][1,2]benzodithiole-8-S(IV),4,5-dihydro-2,6-dimethyl-2,6-Dimethyl-4,5-dihydro-3H-8lambda~4~-[1,2]dithiolo[4,5,1-hi][1,2]benzodithiole
Database identifiers
- CAS
35437-21-9- PubChem CID
- 142007
- DTXSID
DTXSID70956843
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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