148367-71-9
ETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
NameETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
pro_formulaC12 H9 Cl N4 O2 S
1Identification
【Name】
ETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD02946289
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H9 Cl N4 O2 S
【pro_molWeight】
308.748
【Inchi】
InChI=1S/C12H9ClN4O2S/c1-2-19-11(18)10-16-17(12(20-10)15-7-14)9-5-3-8(13)4-6-9/h3-6H,2H2,1H3/b15-12-
【InChIKey】
InChIKey=QGYQEJWAXBDFEJ-QINSGFPZSA-N
【SMILES】
CCOC(=O)c1nn(/c(=N/C#N)/s1)c2ccc(cc2)Cl
【MOL File】
ETHYL 4-(4-CHLOROPHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE.cml