366446-67-5
2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl isothiocyanate
Name2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl isothiocyanate
1Identification
【Name】
2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H6ClF4N3O2S
【MolWeight】
379.717
【Inchi】
InChI=1S/C13H6ClF4N3O2S/c1-20-10(13(16,17)18)4-11(22)21(12(20)23)9-3-8(19-5-24)6(14)2-7(9)15/h2-4H,1H3
【InChIKey】
InChIKey=BPMRSRYIDDXGSU-UHFFFAOYSA-N
【SMILES】
ClC1=C(C=C(C(=C1)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)N=C=S
【MOL File】
2-chloro-5-[3,6-dihy….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl isothiocyanate.cml