Ethanethiol, 2-((4-(2,3,6-trimethylphenoxy)butyl)amino)-, hydrochloride

HCID 217542

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 38920-70-6
Standard SMILES: Cc1ccc(C)c(OCCCCNCCS)c1C.Cl
InChIKey: PMUWSDDLLXNHQY-UHFFFAOYSA-N
Molecular formula: C15H26ClNOS
Average molar mass: 303.9 g/mol
Monoisotopic mass: 303.1423633

Names & identifiers

Preferred name: Ethanethiol, 2-((4-(2,3,6-trimethylphenoxy)butyl)amino)-, hydrochloride
IUPAC: 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanethiol;hydrochloride

Names & synonyms

38920-70-6Ethanethiol, 2-((4-(2,3,6-trimethylphenoxy)butyl)amino)-, hydrochloride2-((4-(2,3,6-Trimethylphenoxy)butyl)amino)ethanethiol hydrochlorideDTXSID10192203RefChem:340281DTXCID801146942-{[4-(2,3,6-Trimethylphenoxy)butyl]amino}ethane-1-thiol--hydrogen chloride (1/1)

Database identifiers

CAS: 38920-70-6
PubChem CID: 217542
DTXSID: DTXSID10192203

Properties

Computed structural properties

Topological polar surface area: 22.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 213

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…