Benzo(b)naphtho(1,2-d)thiophene, 1-methyl-
Basic information
- CAS
84258-62-8- Standard SMILES
Cc1cccc2ccc3sc4ccccc4c3c12- InChIKey
WAKYXINVOCPQFY-UHFFFAOYSA-N- Molecular formula
- C17H12S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.06597156
Names & identifiers
- Preferred name
- Benzo(b)naphtho(1,2-d)thiophene, 1-methyl-
- IUPAC
- 1-methylnaphtho[2,1-b][1]benzothiole
Names & synonyms
BRN 4432998BENZO(b)NAPHTHO(1,2-d)THIOPHENE, 1-METHYL-1-Methylbenzo(b)naphtho(1,2-d)thiophene84258-62-8DTXSID902332041-Methylbenzo[b]naphtho[1,2-d]thiopheneRefChem:326125DTXCID50155695Benzo[b]naphtho[1,2]thiophene, 1-methylmethylbenzo [b]naphthothiopheneWAKYXINVOCPQFY-UHFFFAOYSA-N
Database identifiers
- CAS
84258-62-8- PubChem CID
- 55220
- DTXSID
DTXSID90233204- Nikkaji
- J132.019J
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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