Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-
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Basic information
- CAS
24360-63-2- Standard SMILES
Cc1c2ccccc2cc2c1sc1ccccc12- InChIKey
SMVYLXVOJHVADR-UHFFFAOYSA-N- Molecular formula
- C17H12S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.06597156
Names & identifiers
- Preferred name
- Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-
- IUPAC
- 6-methylnaphtho[2,3-b][1]benzothiole
- English name
- 6-Methylbenzo[b]naphtho[2,3-d]thiophene
- Molecular formula
- C17H12S
- Molecular weight
- 248.34
Names & synonyms
6-Methylbenzo(b)naphtho(2,3-d)thiophene24360-63-2Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-Benzo[b]naphtho[2,3-d]thiophene, 6-methyl-6-methylbenzo[b]naphtho[2,3-d]thiopheneDTXSID20179106RefChem:326151DTXCID10101597SMVYLXVOJHVADR-UHFFFAOYSA-NSCHEMBL162839146-Methylnaphtho[2,3-b][1]benzothiopheneNS00095927
Show more names
5-methylbenzonaphthothiophene
Database identifiers
- CAS
24360-63-2- PubChem CID
- 90480
- DTXSID
DTXSID20179106- Nikkaji
- J102.908H
Properties
Computed structural propertiesFilling in
- 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
Physicochemical properties
- Melting point
- 120 · 120-122 °C
- Boiling point
- 446.5 · 446.5±14.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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