2-(4-(1,1-Dimethylethyl)phenyl)-1-(4-morpholinyl)ethanethione
Basic information
- CAS
14182-66-2- Standard SMILES
CC(C)(C)c1ccc(CC(=S)N2CCOCC2)cc1- InChIKey
QMEWZXJKVNVIJC-UHFFFAOYSA-N- Molecular formula
- C16H23NOS
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.15003553
Names & identifiers
- Preferred name
- 2-(4-(1,1-Dimethylethyl)phenyl)-1-(4-morpholinyl)ethanethione
- IUPAC
- 2-(4-tert-butylphenyl)-1-morpholin-4-ylethanethione
- English name
- Ethanethione, 2-[4-(1,1-dimethylethyl)phenyl]-1-(4-morpholinyl)-
- Molecular formula
- C16H23NOS
- Molecular weight
- 277.42
Names & synonyms
Morpholine, 4-(((p-tert-butylphenyl)thio)acetyl)-14182-66-2DTXSID70161834RefChem:1061136DTXCID80843252-(4-(1,1-Dimethylethyl)phenyl)-1-(4-morpholinyl)ethanethione2-(4-tert-butylphenyl)-1-(morpholin-4-yl)ethanethioneFP 34-[2-(4-tert-butylphenyl)ethanethioyl]morpholineBRN 11231164-(((p-tert-Butylphenyl)thio)acetyl)morpholineSTK281584
Show more names
2-(4-TERT-BUTYL-PHENYL)-1-MORPHOLIN-4-YL-ETHANETHIONEEthanethione, 2-[4-(1,1-dimethylethyl)phenyl]-1-(4-morpholinyl)-
AKOS0003694392-(4-tert-Butylphenyl)-1-(morpholin-4-yl)ethane-1-thione
Database identifiers
- CAS
14182-66-2- PubChem CID
- 203335
- DTXSID
DTXSID70161834
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 392.1 · 392.1±52.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 1.29 · 1.29±0.20(Predicted)
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Compound notes
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