Basic information
- CAS
101683-27-6- Standard SMILES
c1ccc2c(c1)SC(c1ccc(C3Sc4ccccc4S3)s1)S2- InChIKey
UZBDTXFYUALLJG-UHFFFAOYSA-N- Molecular formula
- C18H12S5
- Average molar mass
- 388.6 g/mol
Names & identifiers
- Preferred name
- 2-[5-(1,3-Benzodithiol-2-yl)-2-thienyl]-1,3-benzodithiole
- IUPAC
- 2-[5-(1,3-benzodithiol-2-yl)thiophen-2-yl]-1,3-benzodithiole
- English name
- 2-[5-(1,3-benzodithiol-2-yl)-2-thienyl]-1,3-benzodithiole
- Molecular formula
- C18H12S5
- Molecular weight
- 388.61288
Names & synonyms
2-[5-(1,3-benzodithiol-2-yl)-2-thienyl]-1,3-benzodithiole2-[5-(1,3-benzodithiol-2-yl)thiophen-2-yl]-1,3-benzodithioleAK-249/12983211
Database identifiers
- CAS
101683-27-6
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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