Basic information
- CAS
646511-20-8- Standard SMILES
COc1ccc(Sc2ncccn2)cc1OC- InChIKey
MNENKFDMYMQPJB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.0619488
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)sulfanylpyrimidine
- IUPAC
- 2-(3,4-dimethoxyphenyl)sulfanylpyrimidine
Names & synonyms
2-(3,4-dimethoxyphenyl)sulfanylpyrimidine646511-20-8DTXSID903329632-(3,4-Dimethoxybenzenethio)-pyrimidine2-[(3,4-DIMETHOXYPHENYL)SULFANYL]PYRIMIDINE
Database identifiers
- CAS
646511-20-8- PubChem CID
- 473000
- DTXSID
DTXSID90332963
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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