Basic information
- CAS
38920-60-4- Standard SMILES
Cl.SCCNCCCCCCC1CCCC1- InChIKey
HSRPAQJURXYIDO-UHFFFAOYSA-N- Molecular formula
- C13H28ClNS
- Average molar mass
- 265.89 g/mol
- Monoisotopic mass
- 265.1630988
Names & identifiers
- Preferred name
- Ethanethiol, 2-((6-cyclopentylhexyl)amino)-, hydrochloride
- IUPAC
- 2-(6-cyclopentylhexylamino)ethanethiol;hydrochloride
Names & synonyms
38920-60-4Ethanethiol, 2-((6-cyclopentylhexyl)amino)-, hydrochloride2-((6-Cyclopentylhexyl)amino)ethanethiol hydrochlorideDTXSID80192199RefChem:340318DTXCID401146902-[(6-Cyclopentylhexyl)amino]ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38920-60-4- PubChem CID
- 217529
- DTXSID
DTXSID80192199
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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