(9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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

C230H212O33S11 — CID 157258457

IUPAC(9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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)c2ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2S(=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)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2S(=O)c2ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21.C=CCC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C24H20O3S.C23H24O3S.C23H18O3S.C22H22O3S.C21H22O3S.2C20H20O3S.C20H18O3S.C19H18O3S.C19H16O3S.C19H14O3S/c1-17(2)23(25)27-24(16-18-10-4-3-5-11-18)19-12-6-8-14-21(19)28(26)22-15-9-7-13-20(22)24;2*1-16(2)22(24)26-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)27(25)21-15-9-7-13-19(21)23;1-15(2)21(23)25-22(16-9-3-4-10-16)17-11-5-7-13-19(17)26(24)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;3*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/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;5-12H,2,4H2,1,3H3;4-12H,1-2H2,3H3;1,5-12H,2H2,3H3
InChIKeyAXEBEPIKMFVMQI-UHFFFAOYSA-N
MW3856.93 g/mol
LogP47.34
Rot. Bonds37

About (9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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 157258457) has the molecular formula C230H212O33S11 and a molecular weight of 3856.93 g/mol. Its IUPAC name is (9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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 CID157258457
Molecular FormulaC230H212O33S11
Molecular Weight3856.93 g/mol
Exact Mass3853.18
IUPAC Name(9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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)c2ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2S(=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)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2S(=O)c2ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21.C=CCC1(OC(=O)C(=C)C)c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C24H20O3S.C23H24O3S.C23H18O3S.C22H22O3S.C21H22O3S.2C20H20O3S.C20H18O3S.C19H18O3S.C19H16O3S.C19H14O3S/c1-17(2)23(25)27-24(16-18-10-4-3-5-11-18)19-12-6-8-14-21(19)28(26)22-15-9-7-13-20(22)24;2*1-16(2)22(24)26-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)27(25)21-15-9-7-13-19(21)23;1-15(2)21(23)25-22(16-9-3-4-10-16)17-11-5-7-13-19(17)26(24)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;3*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/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;5-12H,2,4H2,1,3H3;4-12H,1-2H2,3H3;1,5-12H,2H2,3H3
InChIKeyAXEBEPIKMFVMQI-UHFFFAOYSA-N
XLogP47.34
TPSA477.07 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003856.93
LogP ≤ 547.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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 157258457) is (9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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)c2ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2S(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2S(=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)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2S(=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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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 AXEBEPIKMFVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3S.C23H24O3S.C23H18O3S.C22H22O3S.C21H22O3S.2C20H20O3S.C20H18O3S.C19H18O3S.C19H16O3S.C19H14O3S/c1-17(2)23(25)27-24(16-18-10-4-3-5-11-18)19-12-6-8-14-21(19)28(26)22-15-9-7-13-20(22)24;2*1-16(2)22(24)26-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)27(25)21-15-9-7-13-19(21)23;1-15(2)21(23)25-22(16-9-3-4-10-16)17-11-5-7-13-19(17)26(24)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;3*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/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;5-12H,2,4H2,1,3H3;4-12H,1-2H2,3H3;1,5-12H,2H2,3H3.
What are the key properties of (9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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 3856.93 g/mol, XLogP of 47.34, 37 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclopentyl-10-oxothioxanthen-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-oxothioxanthen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylthioxanthen-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 157258457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).