lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane

C123H159BrCl7LiMnO12S7Si — CID 167559875

IUPAClithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane
SMILESC.C.C.C.C.CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1C=O.CC1(c2csc(C=O)c2)OCCc2ccc(Cl)cc21.CCCc1ccc(Cl)cc1C(=O)c1csc(CC)c1.CCCc1ccc(Cl)cc1C(C)(O)c1csc(CC)c1.CCCc1ccc(Cl)cc1C(O)c1csc(CC)c1.CCc1cc(Br)cs1.CCc1cc(C(C)(O)c2cc(Cl)ccc2CCO)cs1.CCc1cc(C2(C)OCCc3ccc(Cl)cc32)cs1.O=[Mn]=O.[CH3-].[Li+]
InChIInChI=1S/C17H21ClOS.C16H19ClO2S.C16H17ClOS.C16H19ClOS.C16H17ClOS.C15H13ClO2S.C15H23ClO2Si.C6H7BrS.5CH4.CH3.Li.Mn.2O/c1-4-6-12-7-8-14(18)10-16(12)17(3,19)13-9-15(5-2)20-11-13;1-3-14-8-12(10-20-14)16(2,19)15-9-13(17)5-4-11(15)6-7-18;1-3-14-8-12(10-19-14)16(2)15-9-13(17)5-4-11(15)6-7-18-16;2*1-3-5-11-6-7-13(17)9-15(11)16(18)12-8-14(4-2)19-10-12;1-15(11-6-13(8-17)19-9-11)14-7-12(16)3-2-10(14)4-5-18-15;1-15(2,3)19(4,5)18-9-8-12-6-7-14(16)10-13(12)11-17;1-2-6-3-5(7)4-8-6;;;;;;;;;;/h7-11,19H,4-6H2,1-3H3;4-5,8-10,18-19H,3,6-7H2,1-2H3;4-5,8-10H,3,6-7H2,1-2H3;6-10,16,18H,3-5H2,1-2H3;6-10H,3-5H2,1-2H3;2-3,6-9H,4-5H2,1H3;6-7,10-11H,8-9H2,1-5H3;3-4H,2H2,1H3;5*1H4;1H3;;;;/q;;;;;;;;;;;;;-1;+1;;;
InChIKeyGPASYDAUUPNLIA-UHFFFAOYSA-N
MW2472.12 g/mol
LogP36.11
Rot. Bonds30

About lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane

lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane (PubChem CID 167559875) has the molecular formula C123H159BrCl7LiMnO12S7Si and a molecular weight of 2472.12 g/mol. Its IUPAC name is lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane.

Molecular Properties

Compound Namelithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane
PubChem CID167559875
Molecular FormulaC123H159BrCl7LiMnO12S7Si
Molecular Weight2472.12 g/mol
Exact Mass2465.62
IUPAC Namelithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane
SMILESC.C.C.C.C.CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1C=O.CC1(c2csc(C=O)c2)OCCc2ccc(Cl)cc21.CCCc1ccc(Cl)cc1C(=O)c1csc(CC)c1.CCCc1ccc(Cl)cc1C(C)(O)c1csc(CC)c1.CCCc1ccc(Cl)cc1C(O)c1csc(CC)c1.CCc1cc(Br)cs1.CCc1cc(C(C)(O)c2cc(Cl)ccc2CCO)cs1.CCc1cc(C2(C)OCCc3ccc(Cl)cc32)cs1.O=[Mn]=O.[CH3-].[Li+]
InChIInChI=1S/C17H21ClOS.C16H19ClO2S.C16H17ClOS.C16H19ClOS.C16H17ClOS.C15H13ClO2S.C15H23ClO2Si.C6H7BrS.5CH4.CH3.Li.Mn.2O/c1-4-6-12-7-8-14(18)10-16(12)17(3,19)13-9-15(5-2)20-11-13;1-3-14-8-12(10-20-14)16(2,19)15-9-13(17)5-4-11(15)6-7-18;1-3-14-8-12(10-19-14)16(2)15-9-13(17)5-4-11(15)6-7-18-16;2*1-3-5-11-6-7-13(17)9-15(11)16(18)12-8-14(4-2)19-10-12;1-15(11-6-13(8-17)19-9-11)14-7-12(16)3-2-10(14)4-5-18-15;1-15(2,3)19(4,5)18-9-8-12-6-7-14(16)10-13(12)11-17;1-2-6-3-5(7)4-8-6;;;;;;;;;;/h7-11,19H,4-6H2,1-3H3;4-5,8-10,18-19H,3,6-7H2,1-2H3;4-5,8-10H,3,6-7H2,1-2H3;6-10,16,18H,3-5H2,1-2H3;6-10H,3-5H2,1-2H3;2-3,6-9H,4-5H2,1H3;6-7,10-11H,8-9H2,1-5H3;3-4H,2H2,1H3;5*1H4;1H3;;;;/q;;;;;;;;;;;;;-1;+1;;;
InChIKeyGPASYDAUUPNLIA-UHFFFAOYSA-N
XLogP36.11
TPSA193.96 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002472.12
LogP ≤ 536.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane?
The IUPAC name of lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane (CID 167559875) is lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane.
What is the SMILES notation for lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane?
The canonical SMILES for lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane is C.C.C.C.C.CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1C=O.CC1(c2csc(C=O)c2)OCCc2ccc(Cl)cc21.CCCc1ccc(Cl)cc1C(=O)c1csc(CC)c1.CCCc1ccc(Cl)cc1C(C)(O)c1csc(CC)c1.CCCc1ccc(Cl)cc1C(O)c1csc(CC)c1.CCc1cc(Br)cs1.CCc1cc(C(C)(O)c2cc(Cl)ccc2CCO)cs1.CCc1cc(C2(C)OCCc3ccc(Cl)cc32)cs1.O=[Mn]=O.[CH3-].[Li+].
What is the InChIKey of lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane?
The InChIKey is GPASYDAUUPNLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClOS.C16H19ClO2S.C16H17ClOS.C16H19ClOS.C16H17ClOS.C15H13ClO2S.C15H23ClO2Si.C6H7BrS.5CH4.CH3.Li.Mn.2O/c1-4-6-12-7-8-14(18)10-16(12)17(3,19)13-9-15(5-2)20-11-13;1-3-14-8-12(10-20-14)16(2,19)15-9-13(17)5-4-11(15)6-7-18;1-3-14-8-12(10-19-14)16(2)15-9-13(17)5-4-11(15)6-7-18-16;2*1-3-5-11-6-7-13(17)9-15(11)16(18)12-8-14(4-2)19-10-12;1-15(11-6-13(8-17)19-9-11)14-7-12(16)3-2-10(14)4-5-18-15;1-15(2,3)19(4,5)18-9-8-12-6-7-14(16)10-13(12)11-17;1-2-6-3-5(7)4-8-6;;;;;;;;;;/h7-11,19H,4-6H2,1-3H3;4-5,8-10,18-19H,3,6-7H2,1-2H3;4-5,8-10H,3,6-7H2,1-2H3;6-10,16,18H,3-5H2,1-2H3;6-10H,3-5H2,1-2H3;2-3,6-9H,4-5H2,1H3;6-7,10-11H,8-9H2,1-5H3;3-4H,2H2,1H3;5*1H4;1H3;;;;/q;;;;;;;;;;;;;-1;+1;;;.
What are the key properties of lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane?
lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane has a molecular weight of 2472.12 g/mol, XLogP of 36.11, 30 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-bromo-2-ethylthiophene;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorobenzaldehyde;carbanide;7-chloro-1-(5-ethylthiophen-3-yl)-1-methyl-3,4-dihydroisochromene;1-[5-chloro-2-(2-hydroxyethyl)phenyl]-1-(5-ethylthiophen-3-yl)ethanol;4-(7-chloro-1-methyl-3,4-dihydroisochromen-1-yl)thiophene-2-carbaldehyde;1-(5-chloro-2-propylphenyl)-1-(5-ethylthiophen-3-yl)ethanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanol;(5-chloro-2-propylphenyl)-(5-ethylthiophen-3-yl)methanone;dioxomanganese;methane is sourced from PubChem (CID 167559875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).