Basic information
- CAS
41287-55-2- Standard SMILES
Cl.SCCNCCCCCOc1ccc(I)cn1- InChIKey
LDHXSKPYAZKHNX-UHFFFAOYSA-N- Molecular formula
- C12H20ClIN2OS
- Average molar mass
- 402.72 g/mol
- Monoisotopic mass
- 402.00296
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrochloride
- IUPAC
- 2-[5-[(5-iodo-2-pyridinyl)oxy]pentylamino]ethanethiol;hydrochloride
Names & synonyms
41287-55-22-((5-(5-Iodo-2-pyridyloxy)pentyl)amino)ethanethiol hydrochlorideEthanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrochlorideDTXSID90194220Pyridine, 5-iodo-2-(5-(2-mercaptoethyl)amino)pentyloxy-, hydrochlorideRefChem:340483DTXCID001167112-({5-[(5-Iodopyridin-2-yl)oxy]pentyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
41287-55-2- PubChem CID
- 218802
- DTXSID
DTXSID90194220
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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