Basic information
- CAS
4567-41-3- Standard SMILES
Cc1cccc2ccc3c4ccccc4sc3c12- InChIKey
WRJGYDAQUXWJRB-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, 1-methyl-
- IUPAC
- 1-methylnaphtho[1,2-b][1]benzothiole
Names & synonyms
BRN 4432764BENZO(b)NAPHTHO(2,1-d)THIOPHENE, 1-METHYL-1-Methylbenzo(b)naphtho(2,1-d)thiophene4567-41-3DTXSID301965815-17-02-00441 (Beilstein Handbook Reference)1-methylbenzo[b]naphtho[2,1-d]thiopheneRefChem:326136DTXCID70119072SCHEMBL22155783WRJGYDAQUXWJRB-UHFFFAOYSA-Nmethylbenzo(b)-naphtho(2,1-d)-thiophene
Show more names
Benzo[b]naphtho[2,1]thiophene, 1-methylBenzo[b]naphtho[2,1-d]thiophene, 1-methyl
Database identifiers
- CAS
4567-41-3- PubChem CID
- 20699
- DTXSID
DTXSID30196581- Nikkaji
- J132.021A
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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