(Cyclohexylamino)morpholin-4-ylmethane-1-thione
Basic information
- CAS
36903-85-2- Standard SMILES
S=C(NC1CCCCC1)N1CCOCC1- InChIKey
WFRSBKJYGRXBPG-UHFFFAOYSA-N- Molecular formula
- C11H20N2OS
- Average molar mass
- 228.36 g/mol
- Monoisotopic mass
- 228.12963444
Names & identifiers
- Preferred name
- (Cyclohexylamino)morpholin-4-ylmethane-1-thione
- IUPAC
- N-cyclohexylmorpholine-4-carbothioamide
- English name
- (Cyclohexylamino)morpholin-4-ylmethane-1-thione
- Molecular formula
- C11H20N2OS
- Molecular weight
- 228.35
Names & synonyms
N-cyclohexylmorpholine-4-carbothioamide(cyclohexylamino)morpholin-4-ylmethane-1-thioneN4-Cyclohexylmorpholine-4-carbothioamide36903-85-2N-Cyclohexyl-4-morpholinecarbothioamideMLS000861132CHEMBL1867699SCHEMBL21903467CCG-644WFRSBKJYGRXBPG-UHFFFAOYSA-NDTXSID701333607HMS2802K14
Show more names
AKOS0037201024-Morpholinecarbothioamide, N-cyclohexyl-N-Cyclohexyl-4-morpholinecarbothioamide #SMR000459916ST029287SR-01000643103-1
Database identifiers
- CAS
36903-85-2- PubChem CID
- 697089
- DTXSID
DTXSID701333607- ChEMBL
CHEMBL1867699- Nikkaji
- J958.717I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
Experimental & physicochemical properties
Solubility33.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 337.5 · 337.5±52.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 15.5 · 15.50±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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