Basic information
- CAS
318248-43-0- Standard SMILES
C=CCOCc1c(-c2ccccc2)nn(C)c1Sc1c(Cl)cccc1Cl- InChIKey
QUWCMQFSRJZTTD-UHFFFAOYSA-N- Molecular formula
- C20H18Cl2N2OS
- Average molar mass
- 405.3 g/mol
Names & identifiers
- Preferred name
- 5-(2,6-Dichlorophenyl)sulfanyl-1-methyl-3-phenyl-4-(prop-2-enoxymethyl)pyrazole
- IUPAC
- 5-(2,6-dichlorophenyl)sulfanyl-1-methyl-3-phenyl-4-(prop-2-enoxymethyl)pyrazole
- English name
- 4-[(Allyloxy)methyl]-5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole
- Molecular formula
- C20H18Cl2N2OS
- Molecular weight
- 405.34
Names & synonyms
318248-43-05-(2,6-dichlorophenyl)sulfanyl-1-methyl-3-phenyl-4-(prop-2-enoxymethyl)pyrazoleallyl {5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl ether5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-4-[(prop-2-en-1-yloxy)methyl]-1H-pyrazoleAKOS0050900044K-545S4-((Allyloxy)methyl)-5-((2,6-dichlorophenyl)thio)-1-methyl-3-phenyl-1H-pyrazole4-[(Allyloxy)methyl]-5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazoleALLYL (5-[(2,6-DICHLOROPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL ETHER1H-Pyrazole, 5-[(2,6-dichlorophenyl)thio]-1-methyl-3-phenyl-4-[(2-propen-1-yloxy)methyl]-
Database identifiers
- CAS
318248-43-0
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 484.6 · 484.6±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 0.31 · 0.31±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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