Basic information
- CAS
5819-62-5- Standard SMILES
CCCOc1ccc(N)cc1CS(C)(=O)=O- InChIKey
IFAYAKWWDXSOMX-UHFFFAOYSA-N- Molecular formula
- C11H17NO3S
- Average molar mass
- 243.32 g/mol
- Monoisotopic mass
- 243.0929144
Names & identifiers
- Preferred name
- m-Toluidine, alpha-(methylsulfonyl)-4-propoxy-
- IUPAC
- 3-(methylsulfonylmethyl)-4-propoxyaniline
Names & synonyms
5819-62-5m-Toluidine, alpha-(methylsulfonyl)-4-propoxy-M & B 7083BRN 2733334alpha-(Methylsulfonyl)-4-propoxy-m-toluidineDTXSID90206918RefChem:351603DTXCID201294093-(methylsulfonylmethyl)-4-propoxyaniline3-((methylsulfonyl)methyl)-4-propoxyanilinestarbld0021919orb1985582
Show more names
AKOS0407531713-[(Methanesulfonyl)methyl]-4-propoxyanilineT33532
Database identifiers
- CAS
5819-62-5- PubChem CID
- 201337
- DTXSID
DTXSID90206918
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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