2-hydroxy-5-iodosulfanylbenzoic acid

C7H5IO3S — CID 23342939

IUPAC2-hydroxy-5-iodosulfanylbenzoic acid
SMILESO=C(O)c1cc(SI)ccc1O
InChIInChI=1S/C7H5IO3S/c8-12-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeyHJFZLKMMCJFFEQ-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.53
Rot. Bonds2

About 2-hydroxy-5-iodosulfanylbenzoic acid

2-hydroxy-5-iodosulfanylbenzoic acid (PubChem CID 23342939) has the molecular formula C7H5IO3S and a molecular weight of 296.09 g/mol. Its IUPAC name is 2-hydroxy-5-iodosulfanylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-iodosulfanylbenzoic acid
PubChem CID23342939
Molecular FormulaC7H5IO3S
Molecular Weight296.09 g/mol
Exact Mass295.90
IUPAC Name2-hydroxy-5-iodosulfanylbenzoic acid
SMILESO=C(O)c1cc(SI)ccc1O
InChIInChI=1S/C7H5IO3S/c8-12-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeyHJFZLKMMCJFFEQ-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-5-methylsulfanylbenzoic acid
CID 142393561
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxybenzoic acid;methanol
CID 174970806
2-hydroxy-5-(sulfanylamino)benzoic acid
CID 170946645
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
CID 172784976
CID 172784976
2-hydroxybenzoic acid;praseodymium
CID 87786006
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodosulfanylbenzoic acid?
The IUPAC name of 2-hydroxy-5-iodosulfanylbenzoic acid (CID 23342939) is 2-hydroxy-5-iodosulfanylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-iodosulfanylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-iodosulfanylbenzoic acid is O=C(O)c1cc(SI)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodosulfanylbenzoic acid?
The InChIKey is HJFZLKMMCJFFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO3S/c8-12-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11).
What are the key properties of 2-hydroxy-5-iodosulfanylbenzoic acid?
2-hydroxy-5-iodosulfanylbenzoic acid has a molecular weight of 296.09 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodosulfanylbenzoic acid is sourced from PubChem (CID 23342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).