866010-98-2
ETHYL 2-([3-(ACETYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
NameETHYL 2-([3-(ACETYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
1Identification
【Name】
ETHYL 2-([3-(ACETYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE
【CAS】
【MDL】
MFCD05670454
【English Synonyms】
【Formula】
C8 H12 N4 O3 S
【MolWeight】
244.274
【Inchi】
InChI=1S/C8H12N4O3S/c1-3-15-6(14)4-16-8-10-7(11-12-8)9-5(2)13/h3-4H2,1-2H3,(H2,9,10,11,12,13)
【InChIKey】
InChIKey=BOKWNFQWXPNMPK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1[nH]nc(n1)NC(=O)C
【MOL File】
ETHYL 2-([3-(ACETYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-([3-(ACETYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]SULFANYL)ACETATE.cml