2-hydroxy-5-methylsulfanylbenzoic acid

C8H8O3S — CID 597283

IUPAC2-hydroxy-5-methylsulfanylbenzoic acid
SMILESCSc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyDATDARDTUZHWMK-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.81
Rot. Bonds2

About 2-hydroxy-5-methylsulfanylbenzoic acid

2-hydroxy-5-methylsulfanylbenzoic acid (PubChem CID 597283) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-hydroxy-5-methylsulfanylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methylsulfanylbenzoic acid
PubChem CID597283
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name2-hydroxy-5-methylsulfanylbenzoic acid
SMILESCSc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyDATDARDTUZHWMK-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methylsulfanylbenzoic acid?
The IUPAC name of 2-hydroxy-5-methylsulfanylbenzoic acid (CID 597283) is 2-hydroxy-5-methylsulfanylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-methylsulfanylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-methylsulfanylbenzoic acid is CSc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-methylsulfanylbenzoic acid?
The InChIKey is DATDARDTUZHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-5-methylsulfanylbenzoic acid?
2-hydroxy-5-methylsulfanylbenzoic acid has a molecular weight of 184.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methylsulfanylbenzoic acid is sourced from PubChem (CID 597283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).