444791-17-7
ETHYL 4-[(4-AMINOSULFONYL)PHENYL]-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
NameETHYL 4-[(4-AMINOSULFONYL)PHENYL]-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
1Identification
【Name】
ETHYL 4-[(4-AMINOSULFONYL)PHENYL]-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD01927000
【English Synonyms】
【Formula】
C12 H11 N5 O4 S2
【MolWeight】
353.382
【Inchi】
InChI=1S/C12H11N5O4S2/c1-2-21-11(18)10-16-17(12(22-10)15-7-13)8-3-5-9(6-4-8)23(14,19)20/h3-6H,2H2,1H3,(H2,14,19,20)/b15-12-
【InChIKey】
InChIKey=UWWIUGCTGIMVKT-QINSGFPZSA-N
【SMILES】
CCOC(=O)c1nn(/c(=N/C#N)/s1)c2ccc(cc2)S(=O)(=O)N
【MOL File】
ETHYL 4-[(4-AMINOSUL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-[(4-AMINOSULFONYL)PHENYL]-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE.cml