Basic information
- CAS
475094-43-0- Standard SMILES
CSc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1- InChIKey
FXDJLXWTLQQPER-UHFFFAOYSA-N- Molecular formula
- C22H18N2S
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.11906976
Names & identifiers
- Preferred name
- 5-Methylthio-1,3,4-triphenyl-1H-pyrazole
- IUPAC
- 5-methylsulfanyl-1,3,4-triphenylpyrazole
- English name
- 5-METHYLTHIO-1,3,4-TRIPHENYL-1H-PYRAZOLE
- Molecular formula
- C22H18N2S
- Molecular weight
- 342.46
Names & synonyms
5-Methylthio-1,3,4-triphenyl-1H-pyrazole475094-43-05-(Methylthio)-1,3,4-triphenyl-1H-pyrazole5-(methylsulfanyl)-1,3,4-triphenyl-1H-pyrazoleDTXSID90469647
Database identifiers
- CAS
475094-43-0- PubChem CID
- 11624311
- DTXSID
DTXSID90469647- Nikkaji
- J2.956.283K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 397
Chemistry & industry
Suppliers2 total
TYGER[email protected]
FULCRUM—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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