potassium;1,4-thiazine-4-carbaldehyde;hydroxide

C5H6KNO2S — CID 174517973

IUPACpotassium;1,4-thiazine-4-carbaldehyde;hydroxide
SMILESO=CN1C=CSC=C1.[K+].[OH-]
InChIInChI=1S/C5H5NOS.K.H2O/c7-5-6-1-3-8-4-2-6;;/h1-5H;;1H2/q;+1;/p-1
InChIKeyKVDPVUBKTILFJD-UHFFFAOYSA-M
MW183.27 g/mol
LogP-2.04
Rot. Bonds1

About potassium;1,4-thiazine-4-carbaldehyde;hydroxide

potassium;1,4-thiazine-4-carbaldehyde;hydroxide (PubChem CID 174517973) has the molecular formula C5H6KNO2S and a molecular weight of 183.27 g/mol. Its IUPAC name is potassium;1,4-thiazine-4-carbaldehyde;hydroxide.

Molecular Properties

Compound Namepotassium;1,4-thiazine-4-carbaldehyde;hydroxide
PubChem CID174517973
Molecular FormulaC5H6KNO2S
Molecular Weight183.27 g/mol
Exact Mass182.98
IUPAC Namepotassium;1,4-thiazine-4-carbaldehyde;hydroxide
SMILESO=CN1C=CSC=C1.[K+].[OH-]
InChIInChI=1S/C5H5NOS.K.H2O/c7-5-6-1-3-8-4-2-6;;/h1-5H;;1H2/q;+1;/p-1
InChIKeyKVDPVUBKTILFJD-UHFFFAOYSA-M
XLogP-2.04
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;1,4-thiazine-4-carbaldehyde;hydroxide?
The IUPAC name of potassium;1,4-thiazine-4-carbaldehyde;hydroxide (CID 174517973) is potassium;1,4-thiazine-4-carbaldehyde;hydroxide.
What is the SMILES notation for potassium;1,4-thiazine-4-carbaldehyde;hydroxide?
The canonical SMILES for potassium;1,4-thiazine-4-carbaldehyde;hydroxide is O=CN1C=CSC=C1.[K+].[OH-].
What is the InChIKey of potassium;1,4-thiazine-4-carbaldehyde;hydroxide?
The InChIKey is KVDPVUBKTILFJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NOS.K.H2O/c7-5-6-1-3-8-4-2-6;;/h1-5H;;1H2/q;+1;/p-1.
What are the key properties of potassium;1,4-thiazine-4-carbaldehyde;hydroxide?
potassium;1,4-thiazine-4-carbaldehyde;hydroxide has a molecular weight of 183.27 g/mol, XLogP of -2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,4-thiazine-4-carbaldehyde;hydroxide is sourced from PubChem (CID 174517973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).