Basic information
- CAS
75790-56-6- Standard SMILES
OC(CNCCS)COc1cccc2ccccc12- InChIKey
YFRSNCHJYWXYHH-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.11365002
Overview
mercaptoethyl group replaces methylethyl group of propranolol; RN given refers to parent cpd; structure in first source
Names & identifiers
- Preferred name
- N-Mercaptoethylpropranolol
- IUPAC
- 1-naphthalen-1-yloxy-3-(2-sulfanylethylamino)propan-2-ol
- English name
- N-mercaptoethylpropranolol
- Molecular weight
- 0
Names & synonyms
N-Mercaptoethylpropranolol75790-56-62-Propanol, 1-((2-mercaptoethyl)amino)-3-(1-naphthalenyloxy)-RefChem:163650DTXSID209971851-(Mercaptoethylamine)-3-naphthoxy-2-propanol1-((1-Mercaptoethyl)amino)-3-(1-naphthalenyloxy)-2-propanol1-[(Naphthalen-1-yl)oxy]-3-[(2-sulfanylethyl)amino]propan-2-ol
Database identifiers
- CAS
75790-56-6- PubChem CID
- 189840
- DTXSID
DTXSID20997185
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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