potassium;phenylmethanone;sulfanide

C7H6KOS- — CID 170539885

IUPACpotassium;phenylmethanone;sulfanide
SMILESO=[C-]c1ccccc1.[K+].[SH-]
InChIInChI=1S/C7H5O.K.H2S/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q-1;+1;/p-1
InChIKeyMFKWFYARQQNDOY-UHFFFAOYSA-M
MW177.29 g/mol
LogP-2.12
Rot. Bonds1

About potassium;phenylmethanone;sulfanide

potassium;phenylmethanone;sulfanide (PubChem CID 170539885) has the molecular formula C7H6KOS- and a molecular weight of 177.29 g/mol. Its IUPAC name is potassium;phenylmethanone;sulfanide.

Molecular Properties

Compound Namepotassium;phenylmethanone;sulfanide
PubChem CID170539885
Molecular FormulaC7H6KOS-
Molecular Weight177.29 g/mol
Exact Mass176.98
IUPAC Namepotassium;phenylmethanone;sulfanide
SMILESO=[C-]c1ccccc1.[K+].[SH-]
InChIInChI=1S/C7H5O.K.H2S/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q-1;+1;/p-1
InChIKeyMFKWFYARQQNDOY-UHFFFAOYSA-M
XLogP-2.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;phenylmethanone;sulfanide?
The IUPAC name of potassium;phenylmethanone;sulfanide (CID 170539885) is potassium;phenylmethanone;sulfanide.
What is the SMILES notation for potassium;phenylmethanone;sulfanide?
The canonical SMILES for potassium;phenylmethanone;sulfanide is O=[C-]c1ccccc1.[K+].[SH-].
What is the InChIKey of potassium;phenylmethanone;sulfanide?
The InChIKey is MFKWFYARQQNDOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5O.K.H2S/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q-1;+1;/p-1.
What are the key properties of potassium;phenylmethanone;sulfanide?
potassium;phenylmethanone;sulfanide has a molecular weight of 177.29 g/mol, XLogP of -2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;phenylmethanone;sulfanide is sourced from PubChem (CID 170539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).