ANTHRA(2,1-b)THIOPHENE
Basic information
- CAS
227-56-5- Standard SMILES
c1ccc2cc3c(ccc4sccc43)cc2c1- InChIKey
PAYSBLPSJQBEJR-UHFFFAOYSA-N- Molecular formula
- C16H10S
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.05032149
Names & identifiers
- Preferred name
- ANTHRA(2,1-b)THIOPHENE
- IUPAC
- naphtho[2,3-e][1]benzothiole
Names & synonyms
ANTHRA(2,1-b)THIOPHENE227-56-5naphtho[2,3-e][1]benzothioleanthra[2,1-b]thiopheneBRN 4675707anthrathiopheneSCHEMBL10696192DTXSID00177226PAYSBLPSJQBEJR-UHFFFAOYSA-N
Database identifiers
- CAS
227-56-5- PubChem CID
- 9187
- DTXSID
DTXSID00177226- Nikkaji
- J62.271K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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