4-{[(4-Methoxyphenyl)sulfanyl]methyl}morpholine
Basic information
- CAS
6631-81-8- Standard SMILES
COc1ccc(SCN2CCOCC2)cc1- InChIKey
YRPQCDHPXRDKEF-UHFFFAOYSA-N- Molecular formula
- C12H17NO2S
- Average molar mass
- 239.34 g/mol
- Monoisotopic mass
- 239.09799996
Names & identifiers
- Preferred name
- 4-{[(4-Methoxyphenyl)sulfanyl]methyl}morpholine
- IUPAC
- 4-[(4-methoxyphenyl)sulfanylmethyl]morpholine
Names & synonyms
6631-81-84-{[(4-methoxyphenyl)sulfanyl]methyl}morpholine4-[(4-methoxyphenyl)sulfanylmethyl]morpholineNSC57933DTXSID20288868NSC-57933DS-005188
Database identifiers
- CAS
6631-81-8- PubChem CID
- 245709
- DTXSID
DTXSID20288868
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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