575461-03-9
3-(2,4-DICHLOROPHENYL)-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
Name3-(2,4-DICHLOROPHENYL)-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
1Identification
【Name】
3-(2,4-DICHLOROPHENYL)-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
【CAS】
【MDL】
MFCD04026670
【English Synonyms】
【Formula】
C16 H14 Cl2 N4 S
【MolWeight】
365.287
【Inchi】
InChI=1S/C16H14Cl2N4S/c1-10-4-2-3-5-11(10)9-23-16-21-20-15(22(16)19)13-7-6-12(17)8-14(13)18/h2-8H,9,19H2,1H3
【InChIKey】
InChIKey=GEELEFUXLRWAAG-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1CSc2nnc(n2N)c3ccc(cc3Cl)Cl
【MOL File】
3-(2,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,4-DICHLOROPHENYL)-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE.cml