Basic information
- CAS
37750-86-0- Standard SMILES
Cc1c2sc3ccccc3c2c(C)c2sc3ccccc3c12- InChIKey
SMSBYNWSDGBVOO-UHFFFAOYSA-N- Molecular formula
- C20H14S2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.05369279
Overview
6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene is an organic heteropentacyclic compound that is p-xylene in which the 2-3 and 5-6 bonds of the benzene ring have each been fused with the b edge of a benzothiophene moiety. It has a role as a mutagen. It is an organosulfur heterocyclic compound and an organic heteropentacyclic compound.
Names & identifiers
- Preferred name
- Benzo(1,2-b:4,5-b')bis(1)benzothiophene, 6,12-dimethyl-
- IUPAC
- 2,12-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
Names & synonyms
Benzo(1,2-b:4,5-b')bis(1)benzothiophene, 6,12-dimethyl-37750-86-06,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene6,12-Dimethylbenzo(1,2-b:4,5-b')dithionaphthene2,12-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaeneBRN 00329536,12-dimethylbenzo[1,2-b:4,5-b']dithionaphthene4-19-00-00437 (Beilstein Handbook Reference)DTXSID00191200CHEBI:142414
Database identifiers
- CAS
37750-86-0- PubChem CID
- 216840
- DTXSID
DTXSID00191200- ChEBI
CHEBI:142414
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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