Basic information
- CAS
67482-61-5- Standard SMILES
CC([NH3+])Cc1scc(Cl)c1Cl.[Cl-]- InChIKey
HPIYQICYHHFKGA-UHFFFAOYSA-N- Molecular formula
- C7H10Cl3NS
- Average molar mass
- 246.6 g/mol
- Monoisotopic mass
- 244.959954
Overview
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Names & identifiers
- Preferred name
- 2,4-Dichloro-alpha-methyl-2-thiopheneethylamine, hydrochloride
- IUPAC
- 1-(3,4-dichlorothiophen-2-yl)propan-2-ylazanium chloride
Names & synonyms
Isopropylamine, 1-(3,4-dichloro-2-thienyl)-, hydrochloride2,4-Dichloro-alpha-methyl-2-thiopheneethylamine, hydrochlorideUNII-8OPG855Z6O
Database identifiers
- CAS
67482-61-5- PubChem CID
- 49895
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
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Compound notes
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