Basic information
- CAS
38920-59-1- Standard SMILES
Cl.SCCNCCCCC1CCCCC1- InChIKey
JMPRHADHAFNEJI-UHFFFAOYSA-N- Molecular formula
- C12H26ClNS
- Average molar mass
- 251.86 g/mol
- Monoisotopic mass
- 251.1474487
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-cyclohexylbutyl)amino)-, hydrochloride
- IUPAC
- 2-(4-cyclohexylbutylamino)ethanethiol;hydrochloride
Names & synonyms
38920-59-1Ethanethiol, 2-((4-cyclohexylbutyl)amino)-, hydrochloride2-((4-Cyclohexylbutyl)amino)ethanethiol hydrochlorideDTXSID20192198RefChem:340304DTXCID301146892-[(4-Cyclohexylbutyl)amino]ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38920-59-1- PubChem CID
- 217527
- DTXSID
DTXSID20192198
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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