Basic information
- CAS
41287-56-3- Standard SMILES
Cl.SCCNCCCCCCOc1ccc(Br)cn1- InChIKey
NSSIGKVPZKVTNW-UHFFFAOYSA-N- Molecular formula
- C13H22BrClN2OS
- Average molar mass
- 369.75 g/mol
- Monoisotopic mass
- 368.03247
Names & identifiers
- Preferred name
- Ethanethiol, 2-(6-(5-bromo-2-pyridyloxy)hexyl)amino-, hydrochloride
- IUPAC
- 2-[6-[(5-bromo-2-pyridinyl)oxy]hexylamino]ethanethiol;hydrochloride
Names & synonyms
41287-56-32-((6-(5-Bromo-2-pyridyloxy)hexyl)amino)ethanethiol hydrochlorideEthanethiol, 2-(6-(5-bromo-2-pyridyloxy)hexyl)amino-, hydrochlorideDTXSID50194221Pyridine, 5-bromo-2-(6-(2-mercaptoethyl)amino)pentyloxy-, hydrochlorideRefChem:340504DTXCID601167122-({6-[(5-Bromopyridin-2-yl)oxy]hexyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
41287-56-3- PubChem CID
- 218804
- DTXSID
DTXSID50194221
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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