575461-59-5
2-((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
Name2-((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
2-((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD00269402
【English Synonyms】
【Formula】
C12 H15 N5 O3 S
【MolWeight】
309.349
【Inchi】
InChI=1S/C12H15N5O3S/c1-19-8-4-3-7(5-9(8)20-2)11-15-16-12(17(11)14)21-6-10(13)18/h3-5H,6,14H2,1-2H3,(H2,13,18)
【InChIKey】
InChIKey=CBWXQZKVBZDCSD-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)c2nnc(n2N)SCC(=O)N
【MOL File】
2-((4-AMINO-5-(3,4-D….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
2-((4-AMINO-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml