sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid

C12H17HgNaO5S — CID 173065790

IUPACsodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CC[Hg]Sc1ccccc1C(=O)O.[H-].[Na+]
InChIInChI=1S/C7H6O2S.C3H6O3.C2H5.Hg.Na.H/c8-7(9)5-3-1-2-4-6(5)10;1-2(4)3(5)6;1-2;;;/h1-4,10H,(H,8,9);2,4H,1H3,(H,5,6);1H2,2H3;;;/q;;;2*+1;-1/p-1
InChIKeyZUIZVHIGUMHAIF-UHFFFAOYSA-M
MW496.91 g/mol
LogP-0.52
Rot. Bonds5

About sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid

sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid (PubChem CID 173065790) has the molecular formula C12H17HgNaO5S and a molecular weight of 496.91 g/mol. Its IUPAC name is sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid.

Molecular Properties

Compound Namesodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid
PubChem CID173065790
Molecular FormulaC12H17HgNaO5S
Molecular Weight496.91 g/mol
Exact Mass498.04
IUPAC Namesodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CC[Hg]Sc1ccccc1C(=O)O.[H-].[Na+]
InChIInChI=1S/C7H6O2S.C3H6O3.C2H5.Hg.Na.H/c8-7(9)5-3-1-2-4-6(5)10;1-2(4)3(5)6;1-2;;;/h1-4,10H,(H,8,9);2,4H,1H3,(H,5,6);1H2,2H3;;;/q;;;2*+1;-1/p-1
InChIKeyZUIZVHIGUMHAIF-UHFFFAOYSA-M
XLogP-0.52
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.91
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium (2-carboxylatophenyl)sulfanyl-ethylmercury
CID 16684434
2-(2-carboxyphenyl)sulfanylpropanedioic acid
CID 2305183
2-(2-methylpropylsulfanyl)benzoic acid
CID 4051770
2-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 43089209
2-(1-carboxybutylsulfanyl)benzoic acid
CID 71364453
2-(3-amino-2-methyl-3-oxopropyl)sulfanylbenzoic acid
CID 43311833
2-(2-carboxyphenyl)sulfanyloxysulfanylbenzoic acid
CID 23514240
benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid
CID 137321948
sodium;hydride;phthalic acid;hydrate
CID 173204002
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
calcium;magnesium;copper;hydride;2-hydroxybenzoic acid;2-hydroxypropanoic acid;sulfuric acid;hexadecahydrate;hydrochloride
CID 174657003
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 16795753

Frequently Asked Questions

What is the IUPAC name of sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid?
The IUPAC name of sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid (CID 173065790) is sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid.
What is the SMILES notation for sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid?
The canonical SMILES for sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid is CC(O)C(=O)O.CC[Hg]Sc1ccccc1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid?
The InChIKey is ZUIZVHIGUMHAIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2S.C3H6O3.C2H5.Hg.Na.H/c8-7(9)5-3-1-2-4-6(5)10;1-2(4)3(5)6;1-2;;;/h1-4,10H,(H,8,9);2,4H,1H3,(H,5,6);1H2,2H3;;;/q;;;2*+1;-1/p-1.
What are the key properties of sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid?
sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid has a molecular weight of 496.91 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2-carboxyphenyl)sulfanyl-ethylmercury;hydride;2-hydroxypropanoic acid is sourced from PubChem (CID 173065790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).