Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-
Basic information
- CAS
4567-45-7- Standard SMILES
Cc1ccc2c(ccc3c4ccccc4sc23)c1- InChIKey
JESYLDJZJBANHW-UHFFFAOYSA-N- Molecular formula
- C17H12S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.06597156
Names & identifiers
- Preferred name
- Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-
- IUPAC
- 3-methylnaphtho[1,2-b][1]benzothiole
Names & synonyms
3-Methylbenzo(b)naphtho(2,1-d)thiophene3-methylbenzo[b]naphtho[2,1-d]thiophene4567-45-7Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-DTXSID50196583RefChem:326139DTXCID901190743-methylbenzo[b]naphtho[2,1-d]thiopeneJESYLDJZJBANHW-UHFFFAOYSA-NBenzo[b]naphtho[2,1]thiophene, 3-methylNS00095899
Database identifiers
- CAS
4567-45-7- PubChem CID
- 165249
- DTXSID
DTXSID50196583- Nikkaji
- J1.058.339J
Properties
Computed structural properties
- XLogP
- 5.9
- 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
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Related reactions
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Compound notes
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