Basic information
- CAS
15093-54-6- Standard SMILES
S=C(Nc1ccccc1)N1CCOCC1- InChIKey
PMYMYVBNBAVIRT-UHFFFAOYSA-N- Molecular formula
- C11H14N2OS
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.08268425
Names & identifiers
- Preferred name
- N-phenylmorpholine-4-carbothioamide
- IUPAC
- N-phenylmorpholine-4-carbothioamide
- English name
- N-Phenyl-4-morpholinecarbothioamide
- Molecular formula
- C11H14N2OS
- Molecular weight
- 222.31
Names & synonyms
N-phenylmorpholine-4-carbothioamide15093-54-6N-Phenyl-4-morpholinecarbothioamidemorpholin-4-yl(phenylamino)methane-1-thioneHMS1680L12CBDivE_000172MLS000693117CHEMBL1866436SCHEMBL19380432DTXSID90349910HMS2606F07SBB000615
Show more names
1-Phenyl-3,3-(oxybisethylene)thiourea4-Morpholinecarbothioamide, N-phenyl-α-(Phenylimino)-4-morpholinemethanethiol
STK391320AKOS000581394SMR000284744ST001670AB00073561-01SR-01000391962SR-01000391962-1BRD-K81341820-001-07-8
Database identifiers
- CAS
15093-54-6- PubChem CID
- 668271
- DTXSID
DTXSID90349910- ChEMBL
CHEMBL1866436- Nikkaji
- J122.328C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 147 · 147-149 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 340.9 · 340.9±52.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.20(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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