Basic information
- CAS
35505-46-5- Standard SMILES
CCC1=C2CCCC3=C(CC)SS(=C23)S1- InChIKey
IKFANCKGPHGTGJ-UHFFFAOYSA-N- Molecular formula
- C12H16S3
- Average molar mass
- 256.5 g/mol
- Monoisotopic mass
- 256.04141403
Names & identifiers
- Preferred name
- 3H-(1,2)Dithiolo(4,5,1-hi)(1,2)benzodithiole-8-s(iv), 2,6-diethyl-4,5-dihydro-
- IUPAC
- 2,6-diethyl-3,4λ4,5-trithiatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene
Names & synonyms
35505-46-53H-(1,2)Dithiolo(4,5,1-hi)(1,2)benzodithiole-8-s(iv), 2,6-diethyl-4,5-dihydro-DTXSID601890073H-[1,2]Dithiolo[4,5,1-hi][1,2]benzodithiole-8-S(IV),2,6-diethyl-4,5-dihydro-2,6-Diethyl-4,5-dihydro-3H-8lambda~4~-[1,2]dithiolo[4,5,1-hi][1,2]benzodithiole
Database identifiers
- CAS
35505-46-5- PubChem CID
- 142016
- DTXSID
DTXSID60189007
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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