(9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate

C248H228O41S12 — CID 159189711

IUPAC(9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(CC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(CCC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(CCCC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(Cc2ccccc2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2S(=O)(=O)c2ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21.C=CCC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C24H20O4S.C23H24O4S.C23H18O4S.C22H22O4S.C21H22O3S.2C20H20O3S.C20H18O3S.C19H14O4S.C19H18O3S.C19H16O3S.C18H16O3S/c1-17(2)23(25)28-24(16-18-10-4-3-5-11-18)19-12-6-8-14-21(19)29(26,27)22-15-9-7-13-20(22)24;2*1-16(2)22(24)27-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)28(25,26)21-15-9-7-13-19(21)23;1-15(2)21(23)26-22(16-9-3-4-10-16)17-11-5-7-13-19(17)27(24,25)20-14-8-6-12-18(20)22;1-4-5-14-21(24-20(22)15(2)3)16-10-6-8-12-18(16)25(23)19-13-9-7-11-17(19)21;1-13(2)19(21)23-20(14(3)4)15-9-5-7-11-17(15)24(22)18-12-8-6-10-16(18)20;2*1-4-13-20(23-19(21)14(2)3)15-9-5-7-11-17(15)24(22)18-12-8-6-10-16(18)20;1-4-19(23-18(20)13(2)3)14-9-5-7-11-16(14)24(21,22)17-12-8-6-10-15(17)19;2*1-4-19(22-18(20)13(2)3)14-9-5-7-11-16(14)23(21)17-12-8-6-10-15(17)19;1-12(2)17(19)21-18(3)13-8-4-6-10-15(13)22(20)16-11-7-5-9-14(16)18/h3-15H,1,16H2,2H3;6-9,12-15,17H,1,3-5,10-11H2,2H3;3-15H,1H2,2H3;5-8,11-14,16H,1,3-4,9-10H2,2H3;6-13H,2,4-5,14H2,1,3H3;5-12,14H,1H2,2-4H3;5-12H,2,4,13H2,1,3H3;4-12H,1-2,13H2,3H3;1,5-12H,2H2,3H3;5-12H,2,4H2,1,3H3;4-12H,1-2H2,3H3;4-11H,1H2,2-3H3
InChIKeyKNXWAKNPXCLTDK-UHFFFAOYSA-N
MW4249.31 g/mol
LogP49.22
Rot. Bonds39

About (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate

(9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate (PubChem CID 159189711) has the molecular formula C248H228O41S12 and a molecular weight of 4249.31 g/mol. Its IUPAC name is (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate
PubChem CID159189711
Molecular FormulaC248H228O41S12
Molecular Weight4249.31 g/mol
Exact Mass4245.24
IUPAC Name(9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(CC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(CCC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(CCCC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(Cc2ccccc2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2S(=O)(=O)c2ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21.C=CCC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C24H20O4S.C23H24O4S.C23H18O4S.C22H22O4S.C21H22O3S.2C20H20O3S.C20H18O3S.C19H14O4S.C19H18O3S.C19H16O3S.C18H16O3S/c1-17(2)23(25)28-24(16-18-10-4-3-5-11-18)19-12-6-8-14-21(19)29(26,27)22-15-9-7-13-20(22)24;2*1-16(2)22(24)27-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)28(25,26)21-15-9-7-13-19(21)23;1-15(2)21(23)26-22(16-9-3-4-10-16)17-11-5-7-13-19(17)27(24,25)20-14-8-6-12-18(20)22;1-4-5-14-21(24-20(22)15(2)3)16-10-6-8-12-18(16)25(23)19-13-9-7-11-17(19)21;1-13(2)19(21)23-20(14(3)4)15-9-5-7-11-17(15)24(22)18-12-8-6-10-16(18)20;2*1-4-13-20(23-19(21)14(2)3)15-9-5-7-11-17(15)24(22)18-12-8-6-10-16(18)20;1-4-19(23-18(20)13(2)3)14-9-5-7-11-16(14)24(21,22)17-12-8-6-10-15(17)19;2*1-4-19(22-18(20)13(2)3)14-9-5-7-11-16(14)23(21)17-12-8-6-10-15(17)19;1-12(2)17(19)21-18(3)13-8-4-6-10-15(13)22(20)16-11-7-5-9-14(16)18/h3-15H,1,16H2,2H3;6-9,12-15,17H,1,3-5,10-11H2,2H3;3-15H,1H2,2H3;5-8,11-14,16H,1,3-4,9-10H2,2H3;6-13H,2,4-5,14H2,1,3H3;5-12,14H,1H2,2-4H3;5-12H,2,4,13H2,1,3H3;4-12H,1-2,13H2,3H3;1,5-12H,2H2,3H3;5-12H,2,4H2,1,3H3;4-12H,1-2H2,3H3;4-11H,1H2,2-3H3
InChIKeyKNXWAKNPXCLTDK-UHFFFAOYSA-N
XLogP49.22
TPSA605.79 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds39
Heavy Atoms301
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004249.31
LogP ≤ 549.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate (CID 159189711) is (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate is C#CC1(OC(=O)C(=C)C)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(CC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(CCC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(CCCC)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(Cc2ccccc2)c2ccccc2S(=O)(=O)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2S(=O)(=O)c2ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21.C=CCC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate?
The InChIKey is KNXWAKNPXCLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4S.C23H24O4S.C23H18O4S.C22H22O4S.C21H22O3S.2C20H20O3S.C20H18O3S.C19H14O4S.C19H18O3S.C19H16O3S.C18H16O3S/c1-17(2)23(25)28-24(16-18-10-4-3-5-11-18)19-12-6-8-14-21(19)29(26,27)22-15-9-7-13-20(22)24;2*1-16(2)22(24)27-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)28(25,26)21-15-9-7-13-19(21)23;1-15(2)21(23)26-22(16-9-3-4-10-16)17-11-5-7-13-19(17)27(24,25)20-14-8-6-12-18(20)22;1-4-5-14-21(24-20(22)15(2)3)16-10-6-8-12-18(16)25(23)19-13-9-7-11-17(19)21;1-13(2)19(21)23-20(14(3)4)15-9-5-7-11-17(15)24(22)18-12-8-6-10-16(18)20;2*1-4-13-20(23-19(21)14(2)3)15-9-5-7-11-17(15)24(22)18-12-8-6-10-16(18)20;1-4-19(23-18(20)13(2)3)14-9-5-7-11-16(14)24(21,22)17-12-8-6-10-15(17)19;2*1-4-19(22-18(20)13(2)3)14-9-5-7-11-16(14)23(21)17-12-8-6-10-15(17)19;1-12(2)17(19)21-18(3)13-8-4-6-10-15(13)22(20)16-11-7-5-9-14(16)18/h3-15H,1,16H2,2H3;6-9,12-15,17H,1,3-5,10-11H2,2H3;3-15H,1H2,2H3;5-8,11-14,16H,1,3-4,9-10H2,2H3;6-13H,2,4-5,14H2,1,3H3;5-12,14H,1H2,2-4H3;5-12H,2,4,13H2,1,3H3;4-12H,1-2,13H2,3H3;1,5-12H,2H2,3H3;5-12H,2,4H2,1,3H3;4-12H,1-2H2,3H3;4-11H,1H2,2-3H3.
What are the key properties of (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate?
(9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate has a molecular weight of 4249.31 g/mol, XLogP of 49.22, 39 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10,10-dioxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-methyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propan-2-ylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylthioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-propylthioxanthen-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 159189711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).