potassium 2-formylbenzenethiolate

C7H5KOS — CID 101455951

IUPACpotassium 2-formylbenzenethiolate
SMILESO=Cc1ccccc1[S-].[K+]
InChIInChI=1S/C7H6OS.K/c8-5-6-3-1-2-4-7(6)9;/h1-5,9H;/q;+1/p-1
InChIKeyHUVMJCHMUFJQKJ-UHFFFAOYSA-M
MW176.28 g/mol
LogP-1.59
Rot. Bonds1

About potassium 2-formylbenzenethiolate

potassium 2-formylbenzenethiolate (PubChem CID 101455951) has the molecular formula C7H5KOS and a molecular weight of 176.28 g/mol. Its IUPAC name is potassium 2-formylbenzenethiolate.

Molecular Properties

Compound Namepotassium 2-formylbenzenethiolate
PubChem CID101455951
Molecular FormulaC7H5KOS
Molecular Weight176.28 g/mol
Exact Mass175.97
IUPAC Namepotassium 2-formylbenzenethiolate
SMILESO=Cc1ccccc1[S-].[K+]
InChIInChI=1S/C7H6OS.K/c8-5-6-3-1-2-4-7(6)9;/h1-5,9H;/q;+1/p-1
InChIKeyHUVMJCHMUFJQKJ-UHFFFAOYSA-M
XLogP-1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2-formylbenzenethiolate?
The IUPAC name of potassium 2-formylbenzenethiolate (CID 101455951) is potassium 2-formylbenzenethiolate.
What is the SMILES notation for potassium 2-formylbenzenethiolate?
The canonical SMILES for potassium 2-formylbenzenethiolate is O=Cc1ccccc1[S-].[K+].
What is the InChIKey of potassium 2-formylbenzenethiolate?
The InChIKey is HUVMJCHMUFJQKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6OS.K/c8-5-6-3-1-2-4-7(6)9;/h1-5,9H;/q;+1/p-1.
What are the key properties of potassium 2-formylbenzenethiolate?
potassium 2-formylbenzenethiolate has a molecular weight of 176.28 g/mol, XLogP of -1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-formylbenzenethiolate is sourced from PubChem (CID 101455951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).