lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide

C12H13CuLiNOS — CID 134857288

IUPAClithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide
SMILESC1COCC[N-]1.[Cu+].[Li+].[c-]1cc2ccccc2s1
InChIInChI=1S/C8H5S.C4H8NO.Cu.Li/c1-2-4-8-7(3-1)5-6-9-8;1-3-6-4-2-5-1;;/h1-5H;1-4H2;;/q2*-1;2*+1
InChIKeyVBVQMPYTSXPVEI-UHFFFAOYSA-N
MW289.80 g/mol
LogP0.09
Rot. Bonds

About lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide

lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide (PubChem CID 134857288) has the molecular formula C12H13CuLiNOS and a molecular weight of 289.80 g/mol. Its IUPAC name is lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide.

Molecular Properties

Compound Namelithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide
PubChem CID134857288
Molecular FormulaC12H13CuLiNOS
Molecular Weight289.80 g/mol
Exact Mass289.02
IUPAC Namelithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide
SMILESC1COCC[N-]1.[Cu+].[Li+].[c-]1cc2ccccc2s1
InChIInChI=1S/C8H5S.C4H8NO.Cu.Li/c1-2-4-8-7(3-1)5-6-9-8;1-3-6-4-2-5-1;;/h1-5H;1-4H2;;/q2*-1;2*+1
InChIKeyVBVQMPYTSXPVEI-UHFFFAOYSA-N
XLogP0.09
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-ide;titanium
CID 151347751
dichloropalladium;morpholin-4-ide
CID 168665096
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720
1,4-dioxane;pyrene
CID 88726841
1-(1-benzothiophen-2-yl)aziridine
CID 14339463
1,4-dioxane;phenanthren-1-ylmethanol
CID 174807196
2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium
CID 164909080
4-(1,3-benzothiazol-2-ylsulfanyl)morpholine;sulfane
CID 163844659
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
1,4-dioxane;quinoline
CID 67077004
hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)
CID 139036812

Frequently Asked Questions

What is the IUPAC name of lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide?
The IUPAC name of lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide (CID 134857288) is lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide.
What is the SMILES notation for lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide?
The canonical SMILES for lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide is C1COCC[N-]1.[Cu+].[Li+].[c-]1cc2ccccc2s1.
What is the InChIKey of lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide?
The InChIKey is VBVQMPYTSXPVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5S.C4H8NO.Cu.Li/c1-2-4-8-7(3-1)5-6-9-8;1-3-6-4-2-5-1;;/h1-5H;1-4H2;;/q2*-1;2*+1.
What are the key properties of lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide?
lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide has a molecular weight of 289.80 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2H-1-benzothiophen-2-ide;copper(1+);morpholin-4-ide is sourced from PubChem (CID 134857288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).