851224-80-1
ETHYL 3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-THIADIAZOLE-5-CARBOXYLATE
NameETHYL 3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-THIADIAZOLE-5-CARBOXYLATE
pro_formulaC12 H9 F3 N2 O2 S
1Identification
【Name】
ETHYL 3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-THIADIAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD11044983
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H9 F3 N2 O2 S
【pro_molWeight】
302.275
【Inchi】
InChI=1S/C12H9F3N2O2S/c1-2-19-11(18)10-16-9(17-20-10)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2H2,1H3
【InChIKey】
InChIKey=OZPIJQDPXKMQHJ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1nc(ns1)c2ccc(cc2)C(F)(F)F
【MOL File】
ETHYL 3-(4-(TRIFLUOR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-THIADIAZOLE-5-CARBOXYLATE.cml