130997-74-9
2-IMINO-3-(2-(2-PYRIMIDINYLSULPHINYL)ETHYL)-6-TRIFLUOROMETHOXYBENZOTHIAZOLINE
Name2-IMINO-3-(2-(2-PYRIMIDINYLSULPHINYL)ETHYL)-6-TRIFLUOROMETHOXYBENZOTHIAZOLINE
FormulaC14 H11 F3 N4 O2 S2
1Identification
【Name】
2-IMINO-3-(2-(2-PYRIMIDINYLSULPHINYL)ETHYL)-6-TRIFLUOROMETHOXYBENZOTHIAZOLINE
【CAS】
【MDL】
MFCD01960861
【English Synonyms】
【Formula】
C14 H11 F3 N4 O2 S2
【MolWeight】
388.393
【Inchi】
InChI=1S/C14H11F3N4O2S2/c15-14(16,17)23-9-2-3-10-11(8-9)24-12(18)21(10)6-7-25(22)13-19-4-1-5-20-13/h1-5,8,18H,6-7H2
【InChIKey】
InChIKey=MJMCEVSNTSUYHO-UHFFFAOYSA-N
【SMILES】
c1cnc(nc1)S(=O)CCn2c3ccc(cc3sc2=N)OC(F)(F)F
【MOL File】
2-IMINO-3-(2-(2-PYRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-IMINO-3-(2-(2-PYRIMIDINYLSULPHINYL)ETHYL)-6-TRIFLUOROMETHOXYBENZOTHIAZOLINE.cml