577959-45-6
3-(4-TERT-BUTYLPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
Name3-(4-TERT-BUTYLPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
1Identification
【Name】
3-(4-TERT-BUTYLPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE
【CAS】
【MDL】
MFCD04028436
【English Synonyms】
【Formula】
C19 H21 F N4 S
【MolWeight】
356.467
【Inchi】
InChI=1S/C19H21FN4S/c1-19(2,3)15-10-8-13(9-11-15)17-22-23-18(24(17)21)25-12-14-6-4-5-7-16(14)20/h4-11H,12,21H2,1-3H3
【InChIKey】
InChIKey=CKWHYOVHWAVTTO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)c2nnc(n2N)SCc3ccccc3F
【MOL File】
3-(4-TERT-BUTYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-TERT-BUTYLPHENYL)-5-((2-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-4-YLAMINE.cml