Ethanethiol, 2-(5-(5-bromo-2-pyridyloxy)pentyl)amino-, hydrochloride
Basic information
- CAS
41287-52-9- Standard SMILES
Cl.SCCNCCCCCOc1ccc(Br)cn1- InChIKey
GDBNOCCRDMUAGE-UHFFFAOYSA-N- Molecular formula
- C12H20BrClN2OS
- Average molar mass
- 355.72 g/mol
- Monoisotopic mass
- 354.01682
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(5-bromo-2-pyridyloxy)pentyl)amino-, hydrochloride
- IUPAC
- 2-[5-[(5-bromo-2-pyridinyl)oxy]pentylamino]ethanethiol;hydrochloride
Names & synonyms
Ethanethiol, 2-(5-(5-bromo-2-pyridyloxy)pentyl)amino-, hydrochloride41287-52-92-((5-(5-Bromo-2-pyridyloxy)pentyl)amino)ethanethiol hydrochlorideDTXSID60194217Pyridine, 5-bromo-2-(5-(2-mercaptoethyl)amino)pentyloxy-, hydrochlorideRefChem:340478DTXCID701167082-((5-((5-bromopyridin-2-yl)oxy)pentyl)amino)ethane-1-thiol hydrochloride2-({5-[(5-Bromopyridin-2-yl)oxy]pentyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
41287-52-9- PubChem CID
- 218797
- DTXSID
DTXSID60194217
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 186
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Compound notes
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