Basic information
- CAS
25730-47-6- Standard SMILES
C1=C(c2ccccc2)C2=S(S1)SC=C2c1ccccc1- InChIKey
GIYLRALLDRUPFB-UHFFFAOYSA-N- Molecular formula
- C17H12S3
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.0101139
Names & identifiers
- Preferred name
- (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 3,4-diphenyl-
- IUPAC
- 4,6-diphenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Names & synonyms
(1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 3,4-diphenyl-25730-47-6DTXSID00180417[1,2]Dithiolo[1,5-b][1,2]dithiole-7-S(IV),3,4-diphenyl-3,4-Diphenyl-7lambda~4~-[1,2]dithiolo[1,5-b][1,2]dithiole
Database identifiers
- CAS
25730-47-6- PubChem CID
- 141237
- DTXSID
DTXSID00180417
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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