148367-80-0
ETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
NameETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
1Identification
【Name】
ETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD01927001
【English Synonyms】
【Formula】
C12 H9 F N4 O2 S
【MolWeight】
292.293
【Inchi】
InChI=1S/C12H9FN4O2S/c1-2-19-11(18)10-16-17(12(20-10)15-7-14)9-6-4-3-5-8(9)13/h3-6H,2H2,1H3/b15-12-
【InChIKey】
InChIKey=DWPAJFPNZHJEJV-QINSGFPZSA-N
【SMILES】
CCOC(=O)c1nn(/c(=N/C#N)/s1)c2ccccc2F
【MOL File】
ETHYL 5-CYANAMIDE-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE.cml