1-(4-Chlorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
Basic information
- CAS
300815-73-0- Standard SMILES
Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1- InChIKey
IRCGBXNMCPLAFL-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2S2
- Average molar mass
- 378.9 g/mol
- Monoisotopic mass
- 378.0263478
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
- English name
- 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazol-4-yl phenyl sulfide
- Molecular formula
- C17H15ClN2O2S2
- Molecular weight
- 378.9
Names & synonyms
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole1-[(4-Chlorophenyl)sulfonyl]-3,5-dimethyl-4-(phenylthio)-1H-pyrazole1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazol-4-yl phenyl sulfide1-((4-CHLOROPHENYL)SULFONYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL PHENYL SULFIDEOprea1_031403Oprea1_498886CBDivE_007814CCG-172701-(4-Chloro-benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanyl-1H-pyrazoleAKOS000520299ST50222994AF-399/36012055
Show more names
1H-Pyrazole, 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-4-(phenylthio)-
SR-01000443877SR-01000443877-11-[(3,5-dimethyl-4-phenylthiopyrazolyl)sulfonyl]-4-chlorobenzene1-(4-chlorobenzene-1-sulfonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole300815-73-0
Database identifiers
- CAS
300815-73-0- PubChem CID
- 986468
- EC Number
- 141-156-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 516.6 · 516.6±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -4.98 · -4.98±0.19(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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