ethane;2-hydroxy-5-methylsulfanylbenzoic acid

C10H14O3S — CID 142393561

IUPACethane;2-hydroxy-5-methylsulfanylbenzoic acid
SMILESCC.CSc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8O3S.C2H6/c1-12-5-2-3-7(9)6(4-5)8(10)11;1-2/h2-4,9H,1H3,(H,10,11);1-2H3
InChIKeyOJABEBHJTVWSTI-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.84
Rot. Bonds2

About ethane;2-hydroxy-5-methylsulfanylbenzoic acid

ethane;2-hydroxy-5-methylsulfanylbenzoic acid (PubChem CID 142393561) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethane;2-hydroxy-5-methylsulfanylbenzoic acid.

Molecular Properties

Compound Nameethane;2-hydroxy-5-methylsulfanylbenzoic acid
PubChem CID142393561
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Nameethane;2-hydroxy-5-methylsulfanylbenzoic acid
SMILESCC.CSc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8O3S.C2H6/c1-12-5-2-3-7(9)6(4-5)8(10)11;1-2/h2-4,9H,1H3,(H,10,11);1-2H3
InChIKeyOJABEBHJTVWSTI-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-5-methylsulfanylbenzoic acid?
The IUPAC name of ethane;2-hydroxy-5-methylsulfanylbenzoic acid (CID 142393561) is ethane;2-hydroxy-5-methylsulfanylbenzoic acid.
What is the SMILES notation for ethane;2-hydroxy-5-methylsulfanylbenzoic acid?
The canonical SMILES for ethane;2-hydroxy-5-methylsulfanylbenzoic acid is CC.CSc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of ethane;2-hydroxy-5-methylsulfanylbenzoic acid?
The InChIKey is OJABEBHJTVWSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.C2H6/c1-12-5-2-3-7(9)6(4-5)8(10)11;1-2/h2-4,9H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-hydroxy-5-methylsulfanylbenzoic acid?
ethane;2-hydroxy-5-methylsulfanylbenzoic acid has a molecular weight of 214.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-5-methylsulfanylbenzoic acid is sourced from PubChem (CID 142393561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).