4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc

C6H4I2O4SZn — CID 170842937

IUPAC4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc
SMILESO=S(=O)(O)c1cc(I)c(O)c(I)c1.[Zn]
InChIInChI=1S/C6H4I2O4S.Zn/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);
InChIKeyKYZIGVNDZHIXNE-UHFFFAOYSA-N
MW491.36 g/mol
LogP1.85
Rot. Bonds1

About 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc

4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc (PubChem CID 170842937) has the molecular formula C6H4I2O4SZn and a molecular weight of 491.36 g/mol. Its IUPAC name is 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc.

Molecular Properties

Compound Name4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc
PubChem CID170842937
Molecular FormulaC6H4I2O4SZn
Molecular Weight491.36 g/mol
Exact Mass489.72
IUPAC Name4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc
SMILESO=S(=O)(O)c1cc(I)c(O)c(I)c1.[Zn]
InChIInChI=1S/C6H4I2O4S.Zn/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);
InChIKeyKYZIGVNDZHIXNE-UHFFFAOYSA-N
XLogP1.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 4-hydroxy-3,5-diiodobenzenesulfonic acid
CID 54605355
4-amino-3,5-diiodobenzenesulfonic acid
CID 46707047
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
2-iodo-6-methyl-4-methylsulfonylphenol
CID 126611860
3,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174647356
4-hydroxy-3,5-diiodobenzoic acid
CID 12065
azane;3-hydroxy-5-methylbenzenesulfonic acid
CID 131888461
tetrasodium;manganese(3+);25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonic acid
CID 50908746
4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzenesulfonic acid
CID 87316224
4-acetamido-3-iodo-5-nitrobenzenesulfonic acid
CID 89217017
3-amino-5-chloro-4-hydroxybenzenesulfonic acid
CID 22133
sodium;4,5-dihydroxybenzene-1,3-disulfonic acid;hydride
CID 172995228

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc?
The IUPAC name of 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc (CID 170842937) is 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc.
What is the SMILES notation for 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc?
The canonical SMILES for 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc is O=S(=O)(O)c1cc(I)c(O)c(I)c1.[Zn].
What is the InChIKey of 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc?
The InChIKey is KYZIGVNDZHIXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2O4S.Zn/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);.
What are the key properties of 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc?
4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc has a molecular weight of 491.36 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diiodobenzenesulfonic acid;zinc is sourced from PubChem (CID 170842937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).