Benzenamine, 2,6-dimethoxy-4-[(phenylthio)methyl]-
Basic information
- CAS
77422-78-7- Standard SMILES
COc1cc(CSc2ccccc2)cc(OC)c1N- InChIKey
DYWZPXCKBHSLBQ-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- Benzenamine, 2,6-dimethoxy-4-[(phenylthio)methyl]-
- IUPAC
- 2,6-dimethoxy-4-(phenylsulfanylmethyl)aniline
Names & synonyms
77422-78-7Benzenamine, 2,6-dimethoxy-4-[(phenylthio)methyl]-NSC365337DTXSID60320837NSC-365337DS-0098412,6-Dimethoxy-4-[(phenylsulfanyl)methyl]aniline
Database identifiers
- CAS
77422-78-7- PubChem CID
- 339284
- DTXSID
DTXSID60320837
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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