Basic information
- CAS
41287-60-9- Standard SMILES
Cl.SCCNCCCCCCCCCCOc1ccc(Br)cn1- InChIKey
JLZIDTSPQVEYJQ-UHFFFAOYSA-N- Molecular formula
- C17H30BrClN2OS
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 424.09508
Names & identifiers
- Preferred name
- Ethanethiol, 2-(10-(5-bromo-2-pyridyloxy)decyl)amino-, hydrochloride
- IUPAC
- 2-[10-[(5-bromo-2-pyridinyl)oxy]decylamino]ethanethiol;hydrochloride
Names & synonyms
41287-60-9Ethanethiol, 2-(10-(5-bromo-2-pyridyloxy)decyl)amino-, hydrochloride2-((10-(5-Bromo-2-pyridyloxy)decyl)amino)ethanethiol hydrochlorideDTXSID90194225RefChem:340329DTXCID001167162-({10-[(5-Bromopyridin-2-yl)oxy]decyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
41287-60-9- PubChem CID
- 218812
- DTXSID
DTXSID90194225
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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