213462-18-1
4-[4-(TRIFLUOROMETHOXY)PHENYL]-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
Name4-[4-(TRIFLUOROMETHOXY)PHENYL]-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
pro_formulaC14 H12 F3 N O S
1Identification
【Name】
4-[4-(TRIFLUOROMETHOXY)PHENYL]-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
【CAS】
【MDL】
MFCD00099678
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H12 F3 N O S
【pro_molWeight】
299.315
【Inchi】
InChI=1S/C14H12F3NOS/c15-14(16,17)19-10-3-1-9(2-4-10)13-11-6-8-20-12(11)5-7-18-13/h1-4,6,8,13,18H,5,7H2
【InChIKey】
InChIKey=HTPMFEFHLOIZKI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C2c3ccsc3CCN2)OC(F)(F)F
【MOL File】
4-[4-(TRIFLUOROMETHO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[4-(TRIFLUOROMETHOXY)PHENYL]-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE.cml