Basic information
- CAS
303126-40-1- Standard SMILES
COc1ccc(C(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)cc1- InChIKey
ZDNMKFODTKZVKL-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O2S
- Average molar mass
- 372.9 g/mol
- Monoisotopic mass
- 372.0699267
Names & identifiers
- Preferred name
- 4-[(4-chlorophenyl)sulfanyl]-1-(4-methoxybenzoyl)-3,5-dimethyl-1H-pyrazole
- IUPAC
- [4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(4-methoxyphenyl)methanone
- English name
- (4-((4-Chlorophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
- Molecular formula
- C19H17ClN2O2S
- Molecular weight
- 372.87
Names & synonyms
303126-40-14-[(4-chlorophenyl)sulfanyl]-1-(4-methoxybenzoyl)-3,5-dimethyl-1H-pyrazole(4-((4-chlorophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanoneOprea1_374982Oprea1_668680AKOS001036855[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(4-methoxyphenyl)methanoneAE-641/40793781SR-01000443900SR-01000443900-1Z56765547F0755-0061
Show more names
Methanone, [4-[(4-chlorophenyl)thio]-3,5-dimethyl-1H-pyrazol-1-yl](4-methoxyphenyl)-
{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(4-methoxyphenyl)methanone4-((4-CHLOROPHENYL)THIO)-1-(4-METHOXYBENZOYL)-3,5-DIMETHYL-1H-PYRAZOLE
Database identifiers
- CAS
303126-40-1- PubChem CID
- 986471
- EC Number
- 141-160-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 523.6 · 523.6±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -1.66 · -1.66±0.12(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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, 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%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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