Basic information
- CAS
80154-74-1- Standard SMILES
Cl.NC(Cc1c(Cl)cccc1Cl)c1cccs1- InChIKey
JOQMRJOMXAHBFF-UHFFFAOYSA-N- Molecular formula
- C12H12Cl3NS
- Average molar mass
- 308.7 g/mol
- Monoisotopic mass
- 306.975604
Names & identifiers
- Preferred name
- 2-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
Names & synonyms
80154-74-1DTXSID0010010172-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1060771DTXCID801427974alpha-(2,6-Dichlorobenzyl)-2-thenylamine hydrochloride2-Thenylamine, alpha-(2,6-dichlorobenzyl)-, hydrochloride
Database identifiers
- CAS
80154-74-1- PubChem CID
- 3062007
- DTXSID
DTXSID001001017
Properties
Computed structural properties
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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