Basic information
- CAS
4699-26-7- Standard SMILES
Cc1c2sc3ccccc3c2c(C)c2c1sc1ccccc12- InChIKey
CYIDONDRRPRIHZ-UHFFFAOYSA-N- Molecular formula
- C20H14S2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.05369279
Names & identifiers
- Preferred name
- Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-
- IUPAC
- 2,12-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
Names & synonyms
BRN 0032915Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-4699-26-76,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiopheneDTXSID001970005-19-02-00222 (Beilstein Handbook Reference)RefChem:326019DTXCID701194916,12-dimethyldibenzo[d,d']benzo[1,2-b:5,4-b']bisthiophene
Database identifiers
- CAS
4699-26-7- PubChem CID
- 78427
- DTXSID
DTXSID00197000- Nikkaji
- J35.605K
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
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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