799251-42-6
1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-TETRAZOLE-5-THIOL
Name1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-TETRAZOLE-5-THIOL
1Identification
【Name】
1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-TETRAZOLE-5-THIOL
【CAS】
【MDL】
MFCD06010274
【English Synonyms】
【Formula】
C8 H5 F3 N4 O S
【MolWeight】
262.215
【Inchi】
InChI=1S/C8H5F3N4OS/c9-8(10,11)16-6-3-1-5(2-4-6)15-7(17)12-13-14-15/h1-4H,(H,12,14,17)
【InChIKey】
InChIKey=IGNYLBCSNHGHSU-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2c(nnn2)S)OC(F)(F)F
【MOL File】
1-[4-(TRIFLUOROMETHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-TETRAZOLE-5-THIOL.cml