Basic information
- CAS
90945-21-4- Standard SMILES
CN(C)CCSc1ccc(Cl)cc1- InChIKey
MIFJAUGAPOMIAH-UHFFFAOYSA-N- Molecular formula
- C10H14ClNS
- Average molar mass
- 215.74 g/mol
- Monoisotopic mass
- 215.0535483
Names & identifiers
- Preferred name
- Ethylamine, 2-((p-chlorophenyl)thio)-N,N-dimethyl-
- IUPAC
- 2-(4-chlorophenyl)sulfanyl-N,N-dimethylethanamine
Names & synonyms
BRN 252111590945-21-4NM-573ETHYLAMINE, 2-((p-CHLOROPHENYL)THIO)-N,N-DIMETHYL-Ethanamine, 2-((4-chlorophenyl)thio)-N,N-dimethyl-2-((p-Chlorophenyl)thio)-N,N-dimethylethylamineDTXSID20238328RefChem:345108DTXCID40160819SCHEMBL145661712-(4-chlorophenylthio)-dimethylethylamine2-[(4-Chlorophenyl)sulfanyl]-N,N-dimethylethan-1-amine
Database identifiers
- CAS
90945-21-4- PubChem CID
- 56155
- DTXSID
DTXSID20238328- Nikkaji
- J1.498.396A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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