Basic information
- CAS
524037-29-4- Standard SMILES
CCN1CCN(C(=S)c2ccc(OC)cc2)CC1- InChIKey
QTDLKRSSFUXXOI-UHFFFAOYSA-N- Molecular formula
- C14H20N2OS
- Average molar mass
- 264.39 g/mol
Names & identifiers
- Preferred name
- (4-Ethylpiperazin-1-yl)(4-methoxyphenyl)methanethione
- IUPAC
- (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione
- English name
- 1-ethyl-4-(4-methoxybenzothioyl)piperazine
- Molecular formula
- C14H20N2OS
- Molecular weight
- 264.39
Names & synonyms
(4-ethylpiperazin-1-yl)(4-methoxyphenyl)methanethioneMLS000674926(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethioneSMR000291970Opera_ID_5631-ethyl-4-(4-methoxybenzothioyl)piperazineOprea1_730570CHEMBL1578797QTDLKRSSFUXXOI-UHFFFAOYSA-NHMS2705F21STK066098AKOS000348079
Show more names
Methanethione, (4-ethyl-1-piperazinyl)(4-methoxyphenyl)-
524037-29-4ST4074061AG-205/41006195SR-01000539996SR-01000539996-1(4-ethylpiperazinyl)(4-methoxyphenyl)methane-1-thione1-ethyl-4-[(4-methoxyphenyl)carbonothioyl]piperazine(4-Ethyl-piperazin-1-yl)-(4-methoxy-phenyl)-methanethione
Database identifiers
- CAS
524037-29-4- ChEMBL
CHEMBL1578797
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 368.7 · 368.7±52.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 7.44 · 7.44±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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