925179-62-0
3-(DIFLUOROMETHYL)-5-([(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]THIO)-4H-1,2,4-TRIAZOL-4-AMINE
Name3-(DIFLUOROMETHYL)-5-([(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]THIO)-4H-1,2,4-TRIAZOL-4-AMINE
1Identification
【Name】
3-(DIFLUOROMETHYL)-5-([(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]THIO)-4H-1,2,4-TRIAZOL-4-AMINE
【CAS】
【MDL】
MFCD05861673
【English Synonyms】
【Formula】
C9 H11 F2 N7 O2 S
【MolWeight】
319.295
【Inchi】
InChI=1S/C9H11F2N7O2S/c1-4-6(18(19)20)5(2)16(15-4)3-21-9-14-13-8(7(10)11)17(9)12/h7H,3,12H2,1-2H3
【InChIKey】
InChIKey=UDSNNHAUPITKHR-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)CSc2nnc(n2N)C(F)F)C)[N+](=O)[O-]
【MOL File】
3-(DIFLUOROMETHYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(DIFLUOROMETHYL)-5-([(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]THIO)-4H-1,2,4-TRIAZOL-4-AMINE.cml