Basic information
- CAS
17532-07-9- Standard SMILES
CC[NH+](CC)C(C)CC(O)(c1ccsc1)c1ccsc1.[Cl-]- InChIKey
QUEJUIVEPXZKEU-UHFFFAOYSA-N- Molecular formula
- C16H24ClNOS2
- Average molar mass
- 346 g/mol
- Monoisotopic mass
- 345.0987844
Names & identifiers
- Preferred name
- 1-Butanol, 3-(diethylamino)-1,1-di(thien-3-yl)-, hydrochloride
- IUPAC
- diethyl-[4-hydroxy-4,4-di(thiophen-3-yl)butan-2-yl]azanium chloride
Names & synonyms
1-BUTANOL, 3-(DIETHYLAMINO)-1,1-DI(THIEN-3-YL)-, HYDROCHLORIDE17532-07-9RefChem:10550983-(Diethylamino)-1,1-di(thien-3-yl)-1-butanol hydrochloride
Database identifiers
- CAS
17532-07-9- PubChem CID
- 28581
Properties
Computed structural properties
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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