Basic information
- CAS
321538-21-0- Standard SMILES
Cn1nc(-c2ccccc2)c(CSc2ccc(Cl)cc2)c1Cl- InChIKey
LRXHEYXELTYUJP-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N2S
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 348.025475
Names & identifiers
- Preferred name
- (5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 4-chlorophenyl sulfide
- IUPAC
- 5-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-phenylpyrazole
- English name
- (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 4-chlorophenyl sulfide
- Molecular formula
- C17H14Cl2N2S
- Molecular weight
- 349.28
Names & synonyms
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 4-chlorophenyl sulfide321538-21-05-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-phenylpyrazoleDTXSID2011511552K-598sAKOS0050853995-Chloro-4-[[(4-chlorophenyl)thio]methyl]-1-methyl-3-phenyl-1H-pyrazole5-Chloro-4-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazole1H-Pyrazole, 5-chloro-4-[[(4-chlorophenyl)thio]methyl]-1-methyl-3-phenyl-5-CHLORO-4-([(4-CHLOROPHENYL)SULFANYL]METHYL)-1-METHYL-3-PHENYL-1H-PYRAZOLE
Database identifiers
- CAS
321538-21-0- PubChem CID
- 3694956
- DTXSID
DTXSID201151155
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 502.1 · 502.1±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 0.05 · 0.05±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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