866042-05-9
ETHYL 2-[(5-([(BUTYLAMINO)CARBONYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
NameETHYL 2-[(5-([(BUTYLAMINO)CARBONYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
1Identification
【Name】
ETHYL 2-[(5-([(BUTYLAMINO)CARBONYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
【CAS】
【MDL】
MFCD05670490
【English Synonyms】
【Formula】
C11 H18 N4 O3 S2
【MolWeight】
318.42
【Inchi】
InChI=1S/C11H18N4O3S2/c1-3-5-6-12-9(17)13-10-14-15-11(20-10)19-7-8(16)18-4-2/h3-7H2,1-2H3,(H2,12,13,14,17)
【InChIKey】
InChIKey=WFTXOCGOMHNWKU-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)Nc1nnc(s1)SCC(=O)OCC
【MOL File】
ETHYL 2-[(5-([(BUTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(5-([(BUTYLAMINO)CARBONYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE.cml