chempirical

Pyridate

C19H23ClN2O2SCAS 55512-33-9378.92 g/mol

Open in Covalent MOL file
SOOClNN
Aryl halideSulfide

Properties

Molecular formula
C19H23ClN2O2S
Molar mass
378.92 g/mol
Exact mass
378.1169 Da
Melting point
27 °C
Boiling point
220 °C
logP
6.39Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55512-33-9
SMILES
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1
InChIKey
JTZCTMAVMHRNTR-UHFFFAOYSA-N
InChI
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl ester
  • CL 11344
  • Fenpyrate
  • Lentagran
  • Pl 3419
  • O-(3-Phenyl-6-chloropyridazin-4-yl) octylthiocarbonate
  • Tough
  • Lentagran WP
  • Pyridate 600EC
  • Dacaote

Work with Pyridate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenyl stearate637-55-834 % similar β-Naphthyl laurate6343-73-333 % similar 2-Naphthyl myristate7262-80-833 % similar Hexyl benzoate6789-88-432 % similar Octyl benzoate94-50-832 % similar Heptanophenone1671-75-632 % similar Octanophenone1674-37-932 % similar Dodecanophenone1674-38-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook