573707-34-3
ISOPROPYL ((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE
NameISOPROPYL ((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE
1Identification
【Name】
ISOPROPYL ((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE
【CAS】
【MDL】
MFCD04018178
【English Synonyms】
【Formula】
C15 H20 N4 O4 S
【MolWeight】
352.413
【Inchi】
InChI=1S/C15H20N4O4S/c1-9(2)23-13(20)8-24-15-18-17-14(19(15)16)10-5-6-11(21-3)12(7-10)22-4/h5-7,9H,8,16H2,1-4H3
【InChIKey】
InChIKey=PFYXOFOUPHPNGF-UHFFFAOYSA-N
【SMILES】
CC(C)OC(=O)CSc1nnc(n1N)c2ccc(c(c2)OC)OC
【MOL File】
ISOPROPYL ((4-AMINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOPROPYL ((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE.cml