Basic information
- CAS
38920-61-5- Standard SMILES
CC(CCCNCCS)C1CCCCC1.Cl- InChIKey
UVYOHHDNTSRQKG-UHFFFAOYSA-N- Molecular formula
- C13H28ClNS
- Average molar mass
- 265.89 g/mol
- Monoisotopic mass
- 265.1630988
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-cyclohexylpentyl)amino)-, hydrochloride
- IUPAC
- 2-(4-cyclohexylpentylamino)ethanethiol;hydrochloride
Names & synonyms
2-((4-Cyclohexylpentyl)amino)ethanethiol hydrochloride38920-61-5Ethanethiol, 2-((4-cyclohexylpentyl)amino)-, hydrochlorideRefChem:340306DTXSID909597502-[(4-Cyclohexylpentyl)amino]ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38920-61-5- PubChem CID
- 217531
- DTXSID
DTXSID90959750
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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