Basic information
- CAS
27759-72-4- Standard SMILES
CN(C)C(=S)CC(=S)N1CCOCC1- InChIKey
PANIXMPGCXCEJE-UHFFFAOYSA-N- Molecular formula
- C9H16N2OS2
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.07040549
Names & identifiers
- Preferred name
- N,N-Dimethyl-3-(morpholin-4-yl)-3-sulfanylidenepropanethioamide
- IUPAC
- N,N-dimethyl-3-morpholin-4-yl-3-sulfanylidenepropanethioamide
- English name
- 4-Morpholinepropanethioamide, N,N-dimethyl--bta--thioxo-
- Molecular formula
- C9H16N2OS2
- Molecular weight
- 232.37
Names & synonyms
27759-72-4DTXSID10950446N,N-DIMETHYL-3-(MORPHOLIN-4-YL)-3-SULFANYLIDENEPROPANETHIOAMIDERefChem:1090551DTXCID501378605N,N-dimethyl-3-(4-morpholinyl)-3-sulfanylidenepropanethioamideN,N-Dimethyl-3-morpholino-3-thioxothiopropionamideBRN 1214198Propionamide, N,N-dimethyl-3-morpholino-3-thioxothio-4-Morpholinepropanethioamide, N,N-dimethyl-β-thioxo-4-Morpholinepropanethioamide, N,N-dimethyl--bta--thioxo-
Database identifiers
- CAS
27759-72-4- PubChem CID
- 214136
- DTXSID
DTXSID10950446- Nikkaji
- J87.438H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 330.4 · 330.4±52.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 1.39 · 1.39±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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