7,8,9,10-Tetrahydrobenzo(b)naphtho(2,3-d)thiophene
Basic information
- CAS
39097-15-9- Standard SMILES
c1ccc2c(c1)sc1cc3c(cc12)CCCC3- InChIKey
PHIITTUHUJODBZ-UHFFFAOYSA-N- Molecular formula
- C16H14S
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 238.08162162
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydrobenzo(b)naphtho(2,3-d)thiophene
- IUPAC
- 7,8,9,10-tetrahydronaphtho[2,3-b][1]benzothiole
- English name
- 7,8,9,10-Tetrahydrobenzo[b]naphtho[2,3-d]thiophene
- Molecular formula
- C16H14S
- Molecular weight
- 238.35
Names & synonyms
7,8,9,10-Tetrahydrobenzo[b]naphtho[2,3-d]thiophene39097-15-9Benzo[b]naphtho[2,3-d]thiophene, 7,8,9,10-tetrahydro-DTXSID502837856,7,8,9-Tetrahydro-11-thiabenzo(b)fluorene7,8,9,10-Tetrahydronaphtho(2,3-b)benzothiophene7,8,9,10-Tetrahydrobenzo(b)naphtho(2,3-d)thiopheneBenzo(b)naphtho(2,3-d)thiophene, 7,8,9,10-tetrahydro-RefChem:309906DTXCID70234936PHIITTUHUJODBZ-UHFFFAOYSA-N7,8,9,10-tetrahydronaphtho[2,3-b][1]benzothiole
Show more names
NSC33397SCHEMBL12262692SCHEMBL29502814NSC-333976,8,9-Tetrahydro-11-thiabenzo[b]fluoreneDB-359697Benzo[b]naphtho[2, 7,8,9,10-tetrahydro-7,9,10-Tetrahydronaphtho[2,3-b]benzothiophene
Database identifiers
- CAS
39097-15-9- PubChem CID
- 234097
- DTXSID
DTXSID50283785- Nikkaji
- J99.733A
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Comptox DTXSID
- 50283785 · DTXSID50283785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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