5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid

C10H12O3S — CID 117222104

IUPAC5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid
SMILESCCSCc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H12O3S/c1-2-14-6-7-3-4-9(11)8(5-7)10(12)13/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyPZBKWARGSVIHQC-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.34
Rot. Bonds4

About 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid

5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid (PubChem CID 117222104) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid
PubChem CID117222104
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid
SMILESCCSCc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H12O3S/c1-2-14-6-7-3-4-9(11)8(5-7)10(12)13/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyPZBKWARGSVIHQC-UHFFFAOYSA-N
XLogP2.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid (CID 117222104) is 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid is CCSCc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid?
The InChIKey is PZBKWARGSVIHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-14-6-7-3-4-9(11)8(5-7)10(12)13/h3-5,11H,2,6H2,1H3,(H,12,13).
What are the key properties of 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid?
5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid has a molecular weight of 212.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 117222104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).