4-[(2,4-Dimethoxy-3-methylphenyl)methyl]thiomorpholine
Basic information
- CAS
5269-88-5- Standard SMILES
COc1ccc(CN2CCSCC2)c(OC)c1C- InChIKey
DSWMCAPJPSPBDR-UHFFFAOYSA-N- Molecular formula
- C14H21NO2S
- Average molar mass
- 267.39 g/mol
- Monoisotopic mass
- 267.12930009
Names & identifiers
- Preferred name
- 4-[(2,4-Dimethoxy-3-methylphenyl)methyl]thiomorpholine
- IUPAC
- 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
Names & synonyms
5269-88-54-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine4-(2,4-dimethoxy-3-methylbenzyl)thiomorpholineOprea1_695926MLS001000469CHEMBL1417582DTXSID20353803HMS2840N11SMR000496070AG-690/11763403SR-01000202623SR-01000202623-1
Database identifiers
- CAS
5269-88-5- PubChem CID
- 754053
- DTXSID
DTXSID20353803- ChEMBL
CHEMBL1417582
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Solubility26.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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