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

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Related Compounds

4-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 106698577
2-hydroxy-5-(2-oxopropyl)benzoic acid
CID 24721592
2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
CID 143701810
5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
CID 55902498
2-hydroxy-5-(sulfomethyl)benzoic acid
CID 87910022
5-[(2S)-2-amino-2-carboxypropyl]-2-hydroxybenzoic acid;dihydrate;hydrochloride
CID 70604204
5-(3-carboxybut-2-enyl)-2-hydroxybenzoic acid
CID 67786096
2-(ethylsulfanylmethyl)benzoic acid
CID 12757760
5-[(3,4-ditert-butylphenyl)methyl]-2-hydroxybenzoic acid
CID 57308275
2,5-dihydroxybenzoic acid;methanol
CID 174970806
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
2-hydroxy-5-(10-methylundecyl)benzoic acid
CID 22256247

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).