2-(3-hydroxy-2-sulfanylphenyl)acetic acid

C8H8O3S — CID 91874082

IUPAC2-(3-hydroxy-2-sulfanylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(O)c1S
InChIInChI=1S/C8H8O3S/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,9,12H,4H2,(H,10,11)
InChIKeySAZOBNABNPJDEY-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.31
Rot. Bonds2

About 2-(3-hydroxy-2-sulfanylphenyl)acetic acid

2-(3-hydroxy-2-sulfanylphenyl)acetic acid (PubChem CID 91874082) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(3-hydroxy-2-sulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2-sulfanylphenyl)acetic acid
PubChem CID91874082
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name2-(3-hydroxy-2-sulfanylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(O)c1S
InChIInChI=1S/C8H8O3S/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,9,12H,4H2,(H,10,11)
InChIKeySAZOBNABNPJDEY-UHFFFAOYSA-N
XLogP1.31
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
2-(3-methoxycarbonyl-2-sulfanylphenyl)acetic acid
CID 91874273
CID 172781001
CID 172781001
CID 172781038
CID 172781038
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-sulfanylphenyl)acetic acid?
The IUPAC name of 2-(3-hydroxy-2-sulfanylphenyl)acetic acid (CID 91874082) is 2-(3-hydroxy-2-sulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-2-sulfanylphenyl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-2-sulfanylphenyl)acetic acid is O=C(O)Cc1cccc(O)c1S.
What is the InChIKey of 2-(3-hydroxy-2-sulfanylphenyl)acetic acid?
The InChIKey is SAZOBNABNPJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,9,12H,4H2,(H,10,11).
What are the key properties of 2-(3-hydroxy-2-sulfanylphenyl)acetic acid?
2-(3-hydroxy-2-sulfanylphenyl)acetic acid has a molecular weight of 184.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-sulfanylphenyl)acetic acid is sourced from PubChem (CID 91874082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).