bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate

C6H6BiLiO7S — CID 173036618

IUPACbismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate
SMILESO=C([O-])CC(O)(CC(=O)O[S-])C(=O)[O-].[Bi+3].[H-].[Li+]
InChIInChI=1S/C6H8O7S.Bi.Li.H/c7-3(8)1-6(12,5(10)11)2-4(9)13-14;;;/h12,14H,1-2H2,(H,7,8)(H,10,11);;;/q;+3;+1;-1/p-3
InChIKeyJVSNAMFBSCQKKU-UHFFFAOYSA-K
MW438.10 g/mol
LogP-7.26
Rot. Bonds5

About bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate

bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate (PubChem CID 173036618) has the molecular formula C6H6BiLiO7S and a molecular weight of 438.10 g/mol. Its IUPAC name is bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate.

Molecular Properties

Compound Namebismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate
PubChem CID173036618
Molecular FormulaC6H6BiLiO7S
Molecular Weight438.10 g/mol
Exact Mass437.98
IUPAC Namebismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate
SMILESO=C([O-])CC(O)(CC(=O)O[S-])C(=O)[O-].[Bi+3].[H-].[Li+]
InChIInChI=1S/C6H8O7S.Bi.Li.H/c7-3(8)1-6(12,5(10)11)2-4(9)13-14;;;/h12,14H,1-2H2,(H,7,8)(H,10,11);;;/q;+3;+1;-1/p-3
InChIKeyJVSNAMFBSCQKKU-UHFFFAOYSA-K
XLogP-7.26
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.10
LogP ≤ 5-7.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
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dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
CID 170844588
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
CID 173362553
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068

Frequently Asked Questions

What is the IUPAC name of bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate?
The IUPAC name of bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate (CID 173036618) is bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate.
What is the SMILES notation for bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate?
The canonical SMILES for bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate is O=C([O-])CC(O)(CC(=O)O[S-])C(=O)[O-].[Bi+3].[H-].[Li+].
What is the InChIKey of bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate?
The InChIKey is JVSNAMFBSCQKKU-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7S.Bi.Li.H/c7-3(8)1-6(12,5(10)11)2-4(9)13-14;;;/h12,14H,1-2H2,(H,7,8)(H,10,11);;;/q;+3;+1;-1/p-3.
What are the key properties of bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate?
bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate has a molecular weight of 438.10 g/mol, XLogP of -7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;lithium;hydride;2-hydroxy-2-(2-oxo-2-sulfidooxyethyl)butanedioate is sourced from PubChem (CID 173036618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).