Basic information
- CAS
35505-47-6- Standard SMILES
CC(C)C1=C2CCCC3=C(C(C)C)SS(=C23)S1- InChIKey
YZONJFBBRKQXGE-UHFFFAOYSA-N- Molecular formula
- C14H20S3
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.07271416
Names & identifiers
- Preferred name
- 3H-(1,2)Dithiolo(4,5,1-hi)(1,2)benzodithiole-8-s(iv), 4,5-dihydro-2,6-bis(1-methylethyl)-
- IUPAC
- 2,6-di(propan-2-yl)-3,4λ4,5-trithiatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene
Names & synonyms
3H-(1,2)Dithiolo(4,5,1-hi)(1,2)benzodithiole-8-s(iv), 4,5-dihydro-2,6-bis(1-methylethyl)-35505-47-6DTXSID201890083H-[1,2]Dithiolo[4,5,1-hi][1,2]benzodithiole-8-S(IV),4,5-dihydro-2,6-bis(1-methylethyl)-2,6-Di(propan-2-yl)-4,5-dihydro-3H-8lambda~4~-[1,2]dithiolo[4,5,1-hi][1,2]benzodithiole
Database identifiers
- CAS
35505-47-6- PubChem CID
- 142017
- DTXSID
DTXSID20189008
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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