103577-40-8
2-[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYLTHIO-1H-BENZIMIDAZOLE
Name2-[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYLTHIO-1H-BENZIMIDAZOLE
1Identification
【Name】
2-[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYLTHIO-1H-BENZIMIDAZOLE
【CAS】
【MDL】
MFCD00834357
【English Synonyms】
【Formula】
C16 H14 F3 N3 O S
【MolWeight】
353.367
【Inchi】
InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
【InChIKey】
InChIKey=CCHLMSUZHFPSFC-UHFFFAOYSA-N
【SMILES】
Cc1c(ccnc1CSc2[nH]c3ccccc3n2)OCC(F)(F)F
【MOL File】
2-[3-METHYL-4-(2,2,2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYLTHIO-1H-BENZIMIDAZOLE.cml