4-[(Benzenesulfinyl)methyl]aniline
Basic information
- CAS
24176-71-4- Standard SMILES
Nc1ccc(CS(=O)c2ccccc2)cc1- InChIKey
MWGRQIVMFJCZPN-UHFFFAOYSA-N- Molecular formula
- C13H13NOS
- Average molar mass
- 231.32 g/mol
- Monoisotopic mass
- 231.07178521
Names & identifiers
- Preferred name
- 4-[(Benzenesulfinyl)methyl]aniline
- IUPAC
- 4-(benzenesulfinylmethyl)aniline
Names & synonyms
DTXSID3012880564-[(Benzenesulfinyl)methyl]aniline4-[(Phenylsulfinyl)methyl]benzenamineAKOS01055547624176-71-4
Database identifiers
- CAS
24176-71-4- PubChem CID
- 61302003
- DTXSID
DTXSID301288056
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…