lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane

C76H108Br4ClLiMnO8S4Si2 — CID 161203913

IUPAClithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane
SMILESC.C.CC(C)[Si](OC(c1cccc(Br)c1)c1csc(C=O)c1)(C(C)C)C(C)C.CC(C)[Si](OC(c1cccc(Br)c1)c1csc(CO)c1)(C(C)C)C(C)C.CCc1cc(Br)cs1.CCc1cc(C(O)c2cccc(Br)c2)cs1.O=Cc1cccc(Cl)c1.O=[Mn]=O.[2H]CC.[CH2-]CCC.[Li+]
InChIInChI=1S/C21H31BrO2SSi.C21H29BrO2SSi.C13H13BrOS.C7H5ClO.C6H7BrS.C4H9.C2H6.2CH4.Li.Mn.2O/c2*1-14(2)26(15(3)4,16(5)6)24-21(17-8-7-9-19(22)10-17)18-11-20(12-23)25-13-18;1-2-12-7-10(8-16-12)13(15)9-4-3-5-11(14)6-9;8-7-3-1-2-6(4-7)5-9;1-2-6-3-5(7)4-8-6;1-3-4-2;1-2;;;;;;/h7-11,13-16,21,23H,12H2,1-6H3;7-16,21H,1-6H3;3-8,13,15H,2H2,1H3;1-5H;3-4H,2H2,1H3;1,3-4H2,2H3;1-2H3;2*1H4;;;;/q;;;;;-1;;;;+1;;;/i;;;;;;1D;;;;;;
InChIKeyCMKQDYZRNUGCET-KJPPYSQNSA-N
MW1752.09 g/mol
LogP24.95
Rot. Bonds22

About lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane

lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane (PubChem CID 161203913) has the molecular formula C76H108Br4ClLiMnO8S4Si2 and a molecular weight of 1752.09 g/mol. Its IUPAC name is lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane.

Molecular Properties

Compound Namelithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane
PubChem CID161203913
Molecular FormulaC76H108Br4ClLiMnO8S4Si2
Molecular Weight1752.09 g/mol
Exact Mass1746.25
IUPAC Namelithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane
SMILESC.C.CC(C)[Si](OC(c1cccc(Br)c1)c1csc(C=O)c1)(C(C)C)C(C)C.CC(C)[Si](OC(c1cccc(Br)c1)c1csc(CO)c1)(C(C)C)C(C)C.CCc1cc(Br)cs1.CCc1cc(C(O)c2cccc(Br)c2)cs1.O=Cc1cccc(Cl)c1.O=[Mn]=O.[2H]CC.[CH2-]CCC.[Li+]
InChIInChI=1S/C21H31BrO2SSi.C21H29BrO2SSi.C13H13BrOS.C7H5ClO.C6H7BrS.C4H9.C2H6.2CH4.Li.Mn.2O/c2*1-14(2)26(15(3)4,16(5)6)24-21(17-8-7-9-19(22)10-17)18-11-20(12-23)25-13-18;1-2-12-7-10(8-16-12)13(15)9-4-3-5-11(14)6-9;8-7-3-1-2-6(4-7)5-9;1-2-6-3-5(7)4-8-6;1-3-4-2;1-2;;;;;;/h7-11,13-16,21,23H,12H2,1-6H3;7-16,21H,1-6H3;3-8,13,15H,2H2,1H3;1-5H;3-4H,2H2,1H3;1,3-4H2,2H3;1-2H3;2*1H4;;;;/q;;;;;-1;;;;+1;;;/i;;;;;;1D;;;;;;
InChIKeyCMKQDYZRNUGCET-KJPPYSQNSA-N
XLogP24.95
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001752.09
LogP ≤ 524.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane with MolForge

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Related Compounds

lithium;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-methoxymethyl]-2-ethylthiophene;4-[(3-bromophenyl)-methoxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-methoxymethyl]thiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(3-bromophenyl)-methoxymethyl]thiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;butane;4-chloro-5-iodopyrimidine;dioxomanganese;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;oxolane
CID 167691562
2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane
CID 161027154
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
1-bromo-3-fluorobenzene;3-chlorobenzaldehyde;1-chloro-3-[1-(3-fluorophenyl)butyl]benzene;(3-chlorophenyl)-(3-fluorophenyl)methanol;(3-chlorophenyl)-(3-fluorophenyl)methanone;1-dimethylphosphorylethane;methane
CID 158229888
4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
CID 131745435
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
CID 43674094
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
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
3-bromobenzaldehyde;ethane
CID 91121301
acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde
CID 162066609
[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-one
CID 62052677

Frequently Asked Questions

What is the IUPAC name of lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane?
The IUPAC name of lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane (CID 161203913) is lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane.
What is the SMILES notation for lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane?
The canonical SMILES for lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane is C.C.CC(C)[Si](OC(c1cccc(Br)c1)c1csc(C=O)c1)(C(C)C)C(C)C.CC(C)[Si](OC(c1cccc(Br)c1)c1csc(CO)c1)(C(C)C)C(C)C.CCc1cc(Br)cs1.CCc1cc(C(O)c2cccc(Br)c2)cs1.O=Cc1cccc(Cl)c1.O=[Mn]=O.[2H]CC.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane?
The InChIKey is CMKQDYZRNUGCET-KJPPYSQNSA-N. The full InChI is InChI=1S/C21H31BrO2SSi.C21H29BrO2SSi.C13H13BrOS.C7H5ClO.C6H7BrS.C4H9.C2H6.2CH4.Li.Mn.2O/c2*1-14(2)26(15(3)4,16(5)6)24-21(17-8-7-9-19(22)10-17)18-11-20(12-23)25-13-18;1-2-12-7-10(8-16-12)13(15)9-4-3-5-11(14)6-9;8-7-3-1-2-6(4-7)5-9;1-2-6-3-5(7)4-8-6;1-3-4-2;1-2;;;;;;/h7-11,13-16,21,23H,12H2,1-6H3;7-16,21H,1-6H3;3-8,13,15H,2H2,1H3;1-5H;3-4H,2H2,1H3;1,3-4H2,2H3;1-2H3;2*1H4;;;;/q;;;;;-1;;;;+1;;;/i;;;;;;1D;;;;;;.
What are the key properties of lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane?
lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane has a molecular weight of 1752.09 g/mol, XLogP of 24.95, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane is sourced from PubChem (CID 161203913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).