Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester
Basic information
- CAS
4195-39-5- Standard SMILES
CCN(CC)CCSC(=O)COc1ccc(Cl)cc1- InChIKey
MUJFJHAWYXQMPB-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2S
- Average molar mass
- 301.8 g/mol
- Monoisotopic mass
- 301.0903277
Names & identifiers
- Preferred name
- Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester
- IUPAC
- S-[2-(diethylamino)ethyl] 2-(4-chlorophenoxy)ethanethioate
Names & synonyms
BRN 2218467Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) esterS-(2-Diethylaminoethyl) (4-chlorophenoxy)ethanethioate4195-39-5DTXSID70194708RefChem:340211DTXCID70117199S-[2-(Diethylamino)ethyl] (4-chlorophenoxy)ethanethioate
Database identifiers
- CAS
4195-39-5- PubChem CID
- 199452
- DTXSID
DTXSID70194708
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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