575460-42-3
3-((2,6-DIFLUOROBENZYL)THIO)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
Name3-((2,6-DIFLUOROBENZYL)THIO)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
1Identification
【Name】
3-((2,6-DIFLUOROBENZYL)THIO)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
【CAS】
【MDL】
MFCD04026608
【English Synonyms】
【Formula】
C16 H14 F2 N4 O S
【MolWeight】
348.376
【Inchi】
InChI=1S/C16H14F2N4OS/c1-23-11-7-5-10(6-8-11)15-20-21-16(22(15)19)24-9-12-13(17)3-2-4-14(12)18/h2-8H,9,19H2,1H3
【InChIKey】
InChIKey=IOUWHUMBVQDWAQ-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2nnc(n2N)SCc3c(cccc3F)F
【MOL File】
3-((2,6-DIFLUOROBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-((2,6-DIFLUOROBENZYL)THIO)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE.cml