Basic information
- CAS
24964-07-6- Standard SMILES
Cc1ccc2cc3c(cc2c1)sc1ccccc13- InChIKey
AHDCOIWBTWIVLJ-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, 8-methyl-
- IUPAC
- 8-methylnaphtho[2,3-b][1]benzothiole
- English name
- 8-Methylbenzo[b]naphtho[2,3-d]thiophene
- Molecular formula
- C17H12S
- Molecular weight
- 248.34
Names & synonyms
24964-07-6Benzo[b]naphtho[2,3-d]thiophene, 8-methyl-8-methylbenzo[b]naphtho[2,3-d]thiophene8-Methylbenzo(b)naphtho(2,3-d)thiophene8-Methylnaphtho[2,3-b][1]benzothiopheneBenzo(b)naphtho(2,3-d)thiophene, 8-methyl-DTXSID101796758-Methylbenzo[b]naphtho[2,3-d]thiophenel8-Methylbenzo(b)naphtho(2,3-d)thiophenel8-Methylnaphtho(2,3-b)(1)benzothiopheneRefChem:118192DTXCID70102166
Show more names
Benzo[b]naphtho[2,3]thiophene, 8-methyl8-Methylbenzo[b]naphtho[2,3-d]thiophene in toluene
AHDCOIWBTWIVLJ-UHFFFAOYSA-N8-methylnaphtho[2,3-b][1]benzothioleSCHEMBL97789198-methylbenzo[b]-naphtho[2,3-d]thiophene8-methylbenzo[b]naphtho-[2,3-d]thiopheneDB-2200508-methylbenzo[b]-naphtho-[2,3-d]thiophene
Database identifiers
- CAS
24964-07-6- PubChem CID
- 90668
- DTXSID
DTXSID10179675- Nikkaji
- J102.907J
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
Physicochemical properties
- Melting point
- 172 · 172-174 °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
Suppliers1 total
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Related reactions
7 records
Compound notes
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