3-{5-Chloro-2-[(2-chlorophenyl)sulfanyl]anilino}-N,N-dimethylpropan-1-aminium
Basic information
- CAS
7228-98-0- Standard SMILES
C[NH+](C)CCCNc1cc(Cl)ccc1Sc1ccccc1Cl- InChIKey
MXBWMNHJBLZUFV-UHFFFAOYSA-O- Molecular formula
- C17H21Cl2N2S+
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 355.0802502
Names & identifiers
- Preferred name
- 3-{5-Chloro-2-[(2-chlorophenyl)sulfanyl]anilino}-N,N-dimethylpropan-1-aminium
- IUPAC
- 3-[5-chloro-2-(2-chlorophenyl)sulfanylanilino]propyl-dimethylazanium
Names & synonyms
7228-98-0DTXSID504135653-{5-Chloro-2-[(2-chlorophenyl)sulfanyl]anilino}-N,N-dimethylpropan-1-aminium
Database identifiers
- CAS
7228-98-0- PubChem CID
- 5254656
- DTXSID
DTXSID50413565
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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