2-hydroxy-5-sulfanylbenzaldehyde

C7H6O2S — CID 90836240

IUPAC2-hydroxy-5-sulfanylbenzaldehyde
SMILESO=Cc1cc(S)ccc1O
InChIInChI=1S/C7H6O2S/c8-4-5-3-6(10)1-2-7(5)9/h1-4,9-10H
InChIKeyRAZFJWJEPJFUBV-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.49
Rot. Bonds1

About 2-hydroxy-5-sulfanylbenzaldehyde

2-hydroxy-5-sulfanylbenzaldehyde (PubChem CID 90836240) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-hydroxy-5-sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-sulfanylbenzaldehyde
PubChem CID90836240
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name2-hydroxy-5-sulfanylbenzaldehyde
SMILESO=Cc1cc(S)ccc1O
InChIInChI=1S/C7H6O2S/c8-4-5-3-6(10)1-2-7(5)9/h1-4,9-10H
InChIKeyRAZFJWJEPJFUBV-UHFFFAOYSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-sulfanylbenzaldehyde?
The IUPAC name of 2-hydroxy-5-sulfanylbenzaldehyde (CID 90836240) is 2-hydroxy-5-sulfanylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-sulfanylbenzaldehyde?
The canonical SMILES for 2-hydroxy-5-sulfanylbenzaldehyde is O=Cc1cc(S)ccc1O.
What is the InChIKey of 2-hydroxy-5-sulfanylbenzaldehyde?
The InChIKey is RAZFJWJEPJFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c8-4-5-3-6(10)1-2-7(5)9/h1-4,9-10H.
What are the key properties of 2-hydroxy-5-sulfanylbenzaldehyde?
2-hydroxy-5-sulfanylbenzaldehyde has a molecular weight of 154.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-sulfanylbenzaldehyde is sourced from PubChem (CID 90836240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).