577963-05-4
3-(3,4-DIMETHOXYPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
Name3-(3,4-DIMETHOXYPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
1Identification
【Name】
3-(3,4-DIMETHOXYPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
【CAS】
【MDL】
MFCD04028777
【English Synonyms】
【Formula】
C17 H17 F N4 O2 S
【MolWeight】
360.411
【Inchi】
InChI=1S/C17H17FN4O2S/c1-23-14-8-7-11(9-15(14)24-2)16-20-21-17(22(16)19)25-10-12-5-3-4-6-13(12)18/h3-9H,10,19H2,1-2H3
【InChIKey】
InChIKey=UBIJUGLMSUPPEA-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)c2nnc(n2N)SCc3ccccc3F
【MOL File】
3-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,4-DIMETHOXYPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE.cml