4-(3,4-Dichlorobenzyl)thiomorpholine
Basic information
- CAS
414883-72-0- Standard SMILES
Clc1ccc(CN2CCSCC2)cc1Cl- InChIKey
FYPVUFBDBZDLEF-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NS
- Average molar mass
- 262.2 g/mol
- Monoisotopic mass
- 261.014576
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorobenzyl)thiomorpholine
- IUPAC
- 4-[(3,4-dichlorophenyl)methyl]thiomorpholine
Names & synonyms
4-(3,4-dichlorobenzyl)thiomorpholine414883-72-04-[(3,4-dichlorophenyl)methyl]thiomorpholineMFCD00810930Cambridge id 5264987Oprea1_396843MLS001008409CHEMBL1365238SCHEMBL27553559DTXSID901324212HMS2831H07SMR000496000
Show more names
AB00077810-01F399397
Database identifiers
- CAS
414883-72-0- PubChem CID
- 793280
- DTXSID
DTXSID901324212- ChEMBL
CHEMBL1365238
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
Solubility2.6 [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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