Basic information
- CAS
38920-71-7- Standard SMILES
CC(C)c1ccccc1OCCCCNCCS.Cl- InChIKey
VPVBMLNYLRWVPW-UHFFFAOYSA-N- Molecular formula
- C15H26ClNOS
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 303.1423633
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-(2-isopropylphenoxy)butyl)amino)-, hydrochloride
- IUPAC
- 2-[4-(2-propan-2-ylphenoxy)butylamino]ethanethiol;hydrochloride
Names & synonyms
38920-71-7Ethanethiol, 2-((4-(2-isopropylphenoxy)butyl)amino)-, hydrochloride2-((4-(2-Isopropylphenoxy)butyl)amino)ethanethiol hydrochlorideDTXSID70192204RefChem:340286DTXCID401146952-({4-[2-(Propan-2-yl)phenoxy]butyl}amino)ethane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38920-71-7- PubChem CID
- 217544
- DTXSID
DTXSID70192204
Properties
Computed structural properties
- Topological polar surface area
- 22.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…