Basic information
- CAS
87428-42-0- Standard SMILES
COc1cccc(C(=S)N2CCOCC2)c1- InChIKey
JHESXEBEKRDCCX-UHFFFAOYSA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.08234989
Names & identifiers
- Preferred name
- (3-Methoxyphenyl)(morpholin-4-yl)methanethione
- IUPAC
- (3-methoxyphenyl)-morpholin-4-ylmethanethione
Names & synonyms
(3-methoxyphenyl)(morpholin-4-yl)methanethione87428-42-0Morpholine, 4-[(3-methoxyphenyl)thioxomethyl]-STK235693Oprea1_170213DTXSID003536694-(3-methoxybenzothioyl)morpholineAKOS000348171AG-690/12885037SR-01000451003SR-01000451003-1
Database identifiers
- CAS
87428-42-0- PubChem CID
- 747804
- DTXSID
DTXSID00353669
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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