alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride
Basic information
- CAS
37094-60-3- Standard SMILES
CCCC[NH+](CCCC)CC(O)c1cc2ccccc2c2ccsc12.[Cl-]- InChIKey
HKJCVOSTTJVHOA-UHFFFAOYSA-N- Molecular formula
- C22H30ClNOS
- Average molar mass
- 392 g/mol
- Monoisotopic mass
- 391.1736634
Names & identifiers
- Preferred name
- alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride
- IUPAC
- (2-benzo[e][1]benzothiol-4-yl-2-hydroxyethyl)-dibutylazanium chloride
Names & synonyms
alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride37094-60-3NAPHTHO(2,1-b)THIOPHENE-4-METHANOL, alpha-((DIBUTYLAMINO)METHYL)-, HYDROCHLORIDE
Database identifiers
- CAS
37094-60-3- PubChem CID
- 37626
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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