4-(Ethenesulfonyl)-2-methoxy-5-methylaniline
Basic information
- CAS
116413-65-1- Standard SMILES
C=CS(=O)(=O)c1cc(OC)c(N)cc1C- InChIKey
DSHMCBIFACAUFG-UHFFFAOYSA-N- Molecular formula
- C10H13NO3S
- Average molar mass
- 227.28 g/mol
- Monoisotopic mass
- 227.06161445
Names & identifiers
- Preferred name
- 4-(Ethenesulfonyl)-2-methoxy-5-methylaniline
- IUPAC
- 4-ethenylsulfonyl-2-methoxy-5-methylaniline
Names & synonyms
116413-65-14-(Ethenesulfonyl)-2-methoxy-5-methylanilineSCHEMBL7718749DTXSID40598411
Database identifiers
- CAS
116413-65-1- PubChem CID
- 19366273
- DTXSID
DTXSID40598411
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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