About potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane
potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane (PubChem CID 158202490) has the molecular formula C126H129ClF5IKN22O7PS9
and a molecular weight of 2681.60 g/mol. Its IUPAC name is potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane.
Frequently Asked Questions
What is the IUPAC name of potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane?
The IUPAC name of potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane (CID 158202490) is potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane.
What is the SMILES notation for potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane?
The canonical SMILES for potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane is CC(=O)[S-].CCN.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CS(=O)(=O)Cc2ccccc2)CC3)n1.CS(=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CS(=O)(=O)Cc2ccccc2)CC3)n1.CSc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CI)CC3)n1.CSc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CSC(C)=O)CC3)n1.CSc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CSCc2ccccc2)CC3)n1.ClCc1ccccc1.[3H]PC.[K+].
What is the InChIKey of potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane?
The InChIKey is GBCLVGKWLSIFPN-GTGUVAKQSA-M. The full InChI is InChI=1S/C26H26FN5O2S.C25H23FN4O3S2.C25H23FN4S2.C20H19FN4OS2.C18H16FIN4S.C7H7Cl.C2H7N.C2H4OS.CH5P.K/c1-2-28-26-29-15-14-22(30-26)25-24(19-8-10-20(27)11-9-19)31-23-13-12-21(32(23)25)17-35(33,34)16-18-6-4-3-5-7-18;1-34(31)25-27-14-13-21(28-25)24-23(18-7-9-19(26)10-8-18)29-22-12-11-20(30(22)24)16-35(32,33)15-17-5-3-2-4-6-17;1-31-25-27-14-13-21(28-25)24-23(18-7-9-19(26)10-8-18)29-22-12-11-20(30(22)24)16-32-15-17-5-3-2-4-6-17;1-12(26)28-11-15-7-8-17-24-18(13-3-5-14(21)6-4-13)19(25(15)17)16-9-10-22-20(23-16)27-2;1-25-18-21-9-8-14(22-18)17-16(11-2-4-12(19)5-3-11)23-15-7-6-13(10-20)24(15)17;8-6-7-4-2-1-3-5-7;1-2-3;1-2(3)4;1-2;/h3-11,14-15,21H,2,12-13,16-17H2,1H3,(H,28,29,30);2-10,13-14,20H,11-12,15-16H2,1H3;2-10,13-14,20H,11-12,15-16H2,1H3;3-6,9-10,15H,7-8,11H2,1-2H3;2-5,8-9,13H,6-7,10H2,1H3;1-5H,6H2;2-3H2,1H3;1H3,(H,3,4);2H2,1H3;/q;;;;;;;;;+1/p-1/t21-;20-,34?;20-;15-;13-;;;;;/m00000...../s1/i;;;;;;;;2T;.
What are the key properties of potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane?
potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane has a molecular weight of 2681.60 g/mol, XLogP of 24.35, 32 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;4-[(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;(5S)-5-(benzylsulfonylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;chloromethylbenzene;ethanamine;ethanethioate;(5S)-2-(4-fluorophenyl)-5-(iodomethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;S-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl] ethanethioate;methyl(tritio)phosphane is sourced from PubChem (CID 158202490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).