4-hydroxy-2,6-bis(sulfanyl)benzoic acid

C7H6O3S2 — CID 152683614

IUPAC4-hydroxy-2,6-bis(sulfanyl)benzoic acid
SMILESO=C(O)c1c(S)cc(O)cc1S
InChIInChI=1S/C7H6O3S2/c8-3-1-4(11)6(7(9)10)5(12)2-3/h1-2,8,11-12H,(H,9,10)
InChIKeyZOBOKQFJPXAOKP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.67
Rot. Bonds1

About 4-hydroxy-2,6-bis(sulfanyl)benzoic acid

4-hydroxy-2,6-bis(sulfanyl)benzoic acid (PubChem CID 152683614) has the molecular formula C7H6O3S2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-hydroxy-2,6-bis(sulfanyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-2,6-bis(sulfanyl)benzoic acid
PubChem CID152683614
Molecular FormulaC7H6O3S2
Molecular Weight202.26 g/mol
Exact Mass201.98
IUPAC Name4-hydroxy-2,6-bis(sulfanyl)benzoic acid
SMILESO=C(O)c1c(S)cc(O)cc1S
InChIInChI=1S/C7H6O3S2/c8-3-1-4(11)6(7(9)10)5(12)2-3/h1-2,8,11-12H,(H,9,10)
InChIKeyZOBOKQFJPXAOKP-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,6-bis(sulfanyl)benzoic acid?
The IUPAC name of 4-hydroxy-2,6-bis(sulfanyl)benzoic acid (CID 152683614) is 4-hydroxy-2,6-bis(sulfanyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-2,6-bis(sulfanyl)benzoic acid?
The canonical SMILES for 4-hydroxy-2,6-bis(sulfanyl)benzoic acid is O=C(O)c1c(S)cc(O)cc1S.
What is the InChIKey of 4-hydroxy-2,6-bis(sulfanyl)benzoic acid?
The InChIKey is ZOBOKQFJPXAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S2/c8-3-1-4(11)6(7(9)10)5(12)2-3/h1-2,8,11-12H,(H,9,10).
What are the key properties of 4-hydroxy-2,6-bis(sulfanyl)benzoic acid?
4-hydroxy-2,6-bis(sulfanyl)benzoic acid has a molecular weight of 202.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,6-bis(sulfanyl)benzoic acid is sourced from PubChem (CID 152683614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).