Basic information
- CAS
33858-93-4- Standard SMILES
COc1ccc(SCNC(=O)c2ccccc2)cc1OC- InChIKey
AXTHKYDEEKHLLA-UHFFFAOYSA-N- Molecular formula
- C16H17NO3S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.09291458
Names & identifiers
- Preferred name
- N-{[(3,4-Dimethoxyphenyl)sulfanyl]methyl}benzamide
- IUPAC
- N-[(3,4-dimethoxyphenyl)sulfanylmethyl]benzamide
Names & synonyms
33858-93-4N-{[(3,4-Dimethoxyphenyl)sulfanyl]methyl}benzamideDTXSID10494774
Database identifiers
- CAS
33858-93-4- PubChem CID
- 12370167
- DTXSID
DTXSID10494774
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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