2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanethione
Basic information
- CAS
42945-85-7- Standard SMILES
S=C(Cc1ccc(Cl)cc1)N1CCOCC1- InChIKey
CUJJHCLWNJGIHG-UHFFFAOYSA-N- Molecular formula
- C12H14ClNOS
- Average molar mass
- 255.76 g/mol
- Monoisotopic mass
- 255.0484629
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanethione
- IUPAC
- 2-(4-chlorophenyl)-1-morpholin-4-ylethanethione
- English name
- Ethanethione, 2-(4-chlorophenyl)-1-(4-Morpholinyl)-
- Molecular formula
- C12H14ClNOS
- Molecular weight
- 255.76
Names & synonyms
42945-85-7RefChem:10611952-(4-chlorophenyl)-1-(4-morpholinyl)Ethanethione2-(4-Chlorophenyl)-1-morpholin-4-yl-ethanthione2-(4-chlorophenyl)-1-morpholino-1-ethanethione2-(4-chlorophenyl)-1-morpholin-4-ylethanethione2-(4-chlorophenyl)-1-(morpholin-4-yl)ethane-1-thioneMFCD00243661CHEMBL15726222-(4-Chlorophenyl)-1-morpholinoethane-1-thione2-(4-Chlorophenyl)-1-(4-morpholinyl)-EthanethioneNSC24138
Show more names
Ethanethione, 2-(4-chlorophenyl)-1-(4-Morpholinyl)-
MLS0007637152-(4-chlorophenyl)-1-(morpholin-4-yl)ethanethioneSCHEMBL4399380CUJJHCLWNJGIHG-UHFFFAOYSA-DTXSID60282082CUJJHCLWNJGIHG-UHFFFAOYSA-NHMS2652E03BDBM50487500
Database identifiers
- CAS
42945-85-7- PubChem CID
- 229985
- DTXSID
DTXSID60282082- ChEMBL
CHEMBL1572622- Nikkaji
- J597.848C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 98.5 · 98.5-99 °C
- Boiling point
- 378.6 · 378.6±52.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 1.23 · 1.23±0.20(Predicted)
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Related reactions
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Compound notes
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