Basic information
- CAS
79966-33-9- Standard SMILES
Cc1c2ccccc2cc2sc3ccccc3c12- InChIKey
BXBYDPRWMFDDSH-UHFFFAOYSA-N- Molecular formula
- C17H12S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.06597156
Names & identifiers
- Preferred name
- 11-Methylbenzo(b)naphtho(2,3-d)thiophene
- IUPAC
- 11-methylnaphtho[2,3-b][1]benzothiole
Names & synonyms
11-methylbenzo[b]naphtho[2,3-d]thiophene11-Methylbenzo(b)naphtho(2,3-d)thiopheneBenzo[b]naphtho[2,3-d]thiophene, 11-methylBenzo(b)naphtho(2,3-d)thiophene, 11-methyl-DTXSID901000866Benzo(b)naphtho(2,3-d)thiophene, 11-methylRefChem:236196DTXCID601427823BXBYDPRWMFDDSH-UHFFFAOYSA-N79966-33-9Benzo[b]naphtho[2,3]thiophene, 11-methylSCHEMBL22591585
Database identifiers
- CAS
79966-33-9- PubChem CID
- 149795
- DTXSID
DTXSID901000866- Nikkaji
- J1.123.254J
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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