Basic information
- CAS
38920-69-3- Standard SMILES
Cc1ccccc1OCCCCCCNCCS.Cl- InChIKey
VPOCCJCAVCNUFN-UHFFFAOYSA-N- Molecular formula
- C15H26ClNOS
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 303.1423633
Names & identifiers
- Preferred name
- Ethanethiol, 2-((6-(o-tolyloxy)hexyl)amino)-, hydrochloride
- IUPAC
- 2-[6-(2-methylphenoxy)hexylamino]ethanethiol;hydrochloride
Names & synonyms
38920-69-3Ethanethiol, 2-((6-(o-tolyloxy)hexyl)amino)-, hydrochloride2-((6-(o-Tolyloxy)hexyl)amino)ethanethiol hydrochlorideDTXSID50192202RefChem:340316DTXCID201146932-{[6-(2-Methylphenoxy)hexyl]amino}ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38920-69-3- PubChem CID
- 217540
- DTXSID
DTXSID50192202
Properties
Computed structural properties
- Topological polar surface area
- 22.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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