Ethanethiol, 2-(5-(3,5-dichloro-2-pyridyloxy)pentyl)amino-, hydrochloride
Basic information
- CAS
41287-51-8- Standard SMILES
Cl.SCCNCCCCCOc1ncc(Cl)cc1Cl- InChIKey
SXPONSAEIRBHLH-UHFFFAOYSA-N- Molecular formula
- C12H19Cl3N2OS
- Average molar mass
- 345.7 g/mol
- Monoisotopic mass
- 344.028367
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(3,5-dichloro-2-pyridyloxy)pentyl)amino-, hydrochloride
- IUPAC
- 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]pentylamino]ethanethiol;hydrochloride
Names & synonyms
41287-51-8Ethanethiol, 2-(5-(3,5-dichloro-2-pyridyloxy)pentyl)amino-, hydrochloride2-((5-(3,5-Dichloro-2-pyridyloxy)pentyl)amino)ethanethiol hydrochlorideDTXSID00194216Pyridine, 3,5-dichloro-2-(5-(2-mercaptoethyl)amino)pentyloxy-, hydrochlorideRefChem:340466DTXCID101167072-({5-[(3,5-Dichloropyridin-2-yl)oxy]pentyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
41287-51-8- PubChem CID
- 218795
- DTXSID
DTXSID00194216
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 213
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Compound notes
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