866010-90-4
ETHYL 2-[(3-([(3-METHYLPHENYL)SULFONYL]AMINO)-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]ACETATE
NameETHYL 2-[(3-([(3-METHYLPHENYL)SULFONYL]AMINO)-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]ACETATE
1Identification
【Name】
ETHYL 2-[(3-([(3-METHYLPHENYL)SULFONYL]AMINO)-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]ACETATE
【CAS】
【MDL】
MFCD05670446
【English Synonyms】
【Formula】
C13 H16 N4 O4 S2
【MolWeight】
356.425
【Inchi】
InChI=1S/C13H16N4O4S2/c1-3-21-11(18)8-22-13-14-12(15-16-13)17-23(19,20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17)
【InChIKey】
InChIKey=VYGFKTAHARTCFR-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1[nH]nc(n1)NS(=O)(=O)c2cccc(c2)C
【MOL File】
ETHYL 2-[(3-([(3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(3-([(3-METHYLPHENYL)SULFONYL]AMINO)-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]ACETATE.cml