Basic information
- CAS
38920-63-7- Standard SMILES
CC1CCC(CCCCNCCS)C(C)C1.Cl- InChIKey
ZXODHZUZOCQQPK-UHFFFAOYSA-N- Molecular formula
- C14H30ClNS
- Average molar mass
- 279.9 g/mol
- Monoisotopic mass
- 279.1787488
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-(2,4-dimethylcyclohexyl)butyl)amino-, hydrochloride
- IUPAC
- 2-[4-(2,4-dimethylcyclohexyl)butylamino]ethanethiol;hydrochloride
Names & synonyms
38920-63-72-((4-(2,4-Dimethylcyclohexyl)butyl)amino)ethanethiol hydrochlorideEthanethiol, 2-(4-(2,4-dimethylcyclohexyl)butyl)amino-, hydrochlorideRefChem:340405DTXSID109597522-{[4-(2,4-Dimethylcyclohexyl)butyl]amino}ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38920-63-7- PubChem CID
- 217535
- DTXSID
DTXSID10959752
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…