Basic information
- CAS
80967-23-3- Standard SMILES
CSc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1- InChIKey
XYHHQVGAMFIPSK-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2S
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.0487973
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-methylthio-1-phenyl-1H-pyrazole
- IUPAC
- 3-(4-chlorophenyl)-5-methylsulfanyl-1-phenylpyrazole
- English name
- 3-(4-Chlorophenyl)-5-methylthio-1-phenyl-1H-pyrazole
- Molecular formula
- C16H13ClN2S
- Molecular weight
- 300.81
Names & synonyms
80967-23-33-(4-Chlorophenyl)-5-methylthio-1-phenyl-1H-pyrazole3-(4-chlorophenyl)-5-methylsulfanyl-1-phenylpyrazole3-(4-Chlorophenyl)-5-(methylthio)-1-phenyl-1H-pyrazoleDTXSID40469854AR-270/434096613-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl methyl sulfide3-(4-Chlorophenyl)-5-(methylsulfanyl)-1-phenyl-1H-pyrazole
Database identifiers
- CAS
80967-23-3- PubChem CID
- 11638016
- DTXSID
DTXSID40469854
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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