Substance
- Substance Name: toltrazuril
- Formula: C18H14F3N3O4S
- Molecular Weight: 425.4 g/mol
- Identifiers:
- inchi: InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
- inchikey: OCINXEZVIIVXFU-UHFFFAOYSA-N
- casrn: 69004-03-1
- csmiles: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F
- ismiles: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F
- pubchemId: 68591
- iupacname: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
- wikidataId: Q1470932
- chemspiderId: 61859
- dsstoxcmpId: DTXCID10141554
- chemblId: CHEMBL2104931
- ecnumber: 614-893-5
toltrazuril
Systems and Datasets
- toltrazuril + water (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- toltrazuril + methanol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- toltrazuril + ethanol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- toltrazuril + propan-2-ol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- toltrazuril + ethyl acetate (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- toltrazuril + toluene (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- toltrazuril + dichloromethane (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.8b00581 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)
- toltrazuril + propan-2-ol + water (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.8b00581 (Dataseries: 6, Datapoints: 54, Quantity: Mole fraction)
- toltrazuril + propan-2-ol + ethyl acetate (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.8b00581 (Dataseries: 6, Datapoints: 54, Quantity: Mole fraction)