4-[(Dimethylamino)methyl]-3-methoxythioxanthen-9-one
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Basic information
- Standard SMILES
COc1ccc2c(=O)c3ccccc3sc2c1CN(C)C- InChIKey
SAJWOGQUUOYKKS-UHFFFAOYSA-N- Molecular formula
- C17H17NO2S
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.09799996
Names & identifiers
- Preferred name
- 4-[(Dimethylamino)methyl]-3-methoxythioxanthen-9-one
- IUPAC
- 4-[(dimethylamino)methyl]-3-methoxythioxanthen-9-one
Database identifiers
- PubChem CID
- 207247
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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