Basic information
- CAS
41287-59-6- Standard SMILES
Cc1ccc(OCCCCCNCCS)nc1.Cl- InChIKey
NSJXKAZYJJSKSI-UHFFFAOYSA-N- Molecular formula
- C13H23ClN2OS
- Average molar mass
- 290.85 g/mol
- Monoisotopic mass
- 290.1219622
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(5-methyl-2-pyridyloxy)pentyl)amino-, hydrochloride
- IUPAC
- 2-[5-[(5-methyl-2-pyridinyl)oxy]pentylamino]ethanethiol;hydrochloride
Names & synonyms
41287-59-6Ethanethiol, 2-(5-(5-methyl-2-pyridyloxy)pentyl)amino-, hydrochloridePyridine, 2-(5-ethylaminopentyloxy)-5-methyl-, hydrochlorideDTXSID301942242-((5-(5-Methyl-2-pyridyloxy)pentyl)amino)ethanethiol hydrochlorideRefChem:340485DTXCID401167152-({5-[(5-Methylpyridin-2-yl)oxy]pentyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
41287-59-6- PubChem CID
- 218810
- DTXSID
DTXSID30194224
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
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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