1-(4-Chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole
Basic information
- CAS
391222-07-4- Standard SMILES
Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1- InChIKey
VCRYKKJSLYCBHY-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O4S2
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.011426
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole
Names & synonyms
SMR000237635MLS000697166391222-07-4Oprea1_099694Oprea1_520763CHEMBL1304016BDBM59445cid_4088367HMS2537F061-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazoleAKOS003619374F0156-0015
Show more names
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazole1-((4-chlorophenyl)sulfonyl)-3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazole1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazol-4-yl 4-nitrophenyl sulfide
Database identifiers
- CAS
391222-07-4- PubChem CID
- 4088367
- ChEMBL
CHEMBL1304016- EC Number
- 169-122-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 623
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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