2-(3-Aminophenyl)-1-morpholin-4-ylethanethione
Basic information
- CAS
5425-46-7- Standard SMILES
Nc1cccc(CC(=S)N2CCOCC2)c1- InChIKey
AFKZJOCDRCJVRU-UHFFFAOYSA-N- Molecular formula
- C12H16N2OS
- Average molar mass
- 236.34 g/mol
- Monoisotopic mass
- 236.09833431
Names & identifiers
- Preferred name
- 2-(3-Aminophenyl)-1-morpholin-4-ylethanethione
- IUPAC
- 2-(3-aminophenyl)-1-morpholin-4-ylethanethione
- English name
- Ethanethione,2-(3-aminophenyl)-1-(4-morpholinyl)-
- Molecular formula
- C12H16N2OS
- Molecular weight
- 236.33
Names & synonyms
5425-46-7Ethanethione,2-(3-aminophenyl)-1-(4-morpholinyl)-2-(3-aminophenyl)-1-morpholin-4-ylethanethioneNSC12766Oprea1_4937042-(3-aminophenyl)-1-(morpholin-4-yl)ethane-1-thioneDTXSID70969256NSC-12766AKOS002346741SDCCGMLS-0064684.P0013-[2-(4-morpholinyl)-2-thioxoethyl]anilineAB00087929-01
Show more names
2-(3-Aminophenyl)-1-(4-morpholinyl)ethanethione
SR-01000211943SR-01000211943-1
Database identifiers
- CAS
5425-46-7- PubChem CID
- 224375
- DTXSID
DTXSID70969256
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Boiling point
- 417.2 · 417.2±55.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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