Basic information
- CAS
52368-39-5- Standard SMILES
CCCC[NH+](CCCC)CC(O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12.[Cl-]- InChIKey
PSPJJYMWZWLKND-UHFFFAOYSA-N- Molecular formula
- C23H29ClF3NOS
- Average molar mass
- 460 g/mol
- Monoisotopic mass
- 459.1610479
Names & identifiers
- Preferred name
- Naphtho(2,1-b)thiophene-4-methanol, alpha-((dibutylamino)methyl)-8-(trifluoromethyl)-, hydrochloride
- IUPAC
- dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethyl]azanium chloride
Names & synonyms
Naphtho(2,1-b)thiophene-4-methanol, alpha-((dibutylamino)methyl)-8-(trifluoromethyl)-, hydrochloride
Database identifiers
- CAS
52368-39-5- PubChem CID
- 40329
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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