Basic information
- CAS
63918-04-7- Standard SMILES
CCN(CC)CCSc1ccccc1Cl- InChIKey
CYZPPNZUOVYZGC-UHFFFAOYSA-N- Molecular formula
- C12H18ClNS
- Average molar mass
- 243.8 g/mol
- Monoisotopic mass
- 243.0848484
Names & identifiers
- Preferred name
- Ethylamine, 2-(o-chlorophenyl)thio-N,N-diethyl-
- IUPAC
- 2-(2-chlorophenyl)sulfanyl-N,N-diethylethanamine
- English name
- 2-(o-Chlorophenyl)thio-N,N-diethylethanamine
- Molecular formula
- C12H18ClNS
- Molecular weight
- 243.8
Names & synonyms
USAF A-1263363918-04-7BRN 3262733ETHYLAMINE, 2-(o-CHLOROPHENYL)THIO-N,N-DIETHYL-Triethylamine, 2-(o-chlorophenylthio)-N,N-Diethyl-beta-(chlorophenylthio)-ethylamineEthylamine, N,N-diethyl-beta-(o-chlorophenylthio)-DTXSID102136894-06-00-01575 (Beilstein Handbook Reference)RefChem:345140DTXCID901361802-[(2-Chlorophenyl)sulfanyl]-N,N-diethylethan-1-amine
Show more names
2-(o-Chlorophenyl)thio-N,N-diethylethanamineEthanamine, 2-[(2-chlorophenyl)thio]-N,N-diethyl-
Database identifiers
- CAS
63918-04-7- PubChem CID
- 45360
- DTXSID
DTXSID10213689- Nikkaji
- J93.005I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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