4-Chlorophenyl 3,5-diphenyl-1H-pyrazol-4-YL sulfide
Basic information
- CAS
394236-85-2- Standard SMILES
Clc1ccc(Sc2c(-c3ccccc3)n[nH]c2-c2ccccc2)cc1- InChIKey
MPHGRUXPYOTUSO-UHFFFAOYSA-N- Molecular formula
- C21H15ClN2S
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.0644474
Names & identifiers
- Preferred name
- 4-Chlorophenyl 3,5-diphenyl-1H-pyrazol-4-YL sulfide
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-3,5-diphenyl-1H-pyrazole
- English name
- 4-Chlorophenyl 3,5-diphenyl-1H-pyrazol-4-yl sulfide
- Molecular weight
- 0
Names & synonyms
AKOS0023790004-[(4-chlorophenyl)thio]-3,5-diphenyl-1H-pyrazole4-CHLOROPHENYL 3,5-DIPHENYL-1H-PYRAZOL-4-YL SULFIDE
Database identifiers
- CAS
394236-85-2- PubChem CID
- 1632097
- EC Number
- 132-316-0
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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