potassium;hydride;hydron;1H-quinazoline-2-thione

C8H8KN2S+ — CID 174528479

IUPACpotassium;hydride;hydron;1H-quinazoline-2-thione
SMILESS=c1ncc2ccccc2[nH]1.[H+].[H-].[K+]
InChIInChI=1S/C8H6N2S.K.H/c11-8-9-5-6-3-1-2-4-7(6)10-8;;/h1-5H,(H,9,10,11);;/q;+1;-1/p+1
InChIKeyYOCAUMALJTZUBC-UHFFFAOYSA-O
MW203.33 g/mol
LogP-0.48
Rot. Bonds

About potassium;hydride;hydron;1H-quinazoline-2-thione

potassium;hydride;hydron;1H-quinazoline-2-thione (PubChem CID 174528479) has the molecular formula C8H8KN2S+ and a molecular weight of 203.33 g/mol. Its IUPAC name is potassium;hydride;hydron;1H-quinazoline-2-thione.

Molecular Properties

Compound Namepotassium;hydride;hydron;1H-quinazoline-2-thione
PubChem CID174528479
Molecular FormulaC8H8KN2S+
Molecular Weight203.33 g/mol
Exact Mass203.00
IUPAC Namepotassium;hydride;hydron;1H-quinazoline-2-thione
SMILESS=c1ncc2ccccc2[nH]1.[H+].[H-].[K+]
InChIInChI=1S/C8H6N2S.K.H/c11-8-9-5-6-3-1-2-4-7(6)10-8;;/h1-5H,(H,9,10,11);;/q;+1;-1/p+1
InChIKeyYOCAUMALJTZUBC-UHFFFAOYSA-O
XLogP-0.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;hydron;1H-quinazoline-2-thione?
The IUPAC name of potassium;hydride;hydron;1H-quinazoline-2-thione (CID 174528479) is potassium;hydride;hydron;1H-quinazoline-2-thione.
What is the SMILES notation for potassium;hydride;hydron;1H-quinazoline-2-thione?
The canonical SMILES for potassium;hydride;hydron;1H-quinazoline-2-thione is S=c1ncc2ccccc2[nH]1.[H+].[H-].[K+].
What is the InChIKey of potassium;hydride;hydron;1H-quinazoline-2-thione?
The InChIKey is YOCAUMALJTZUBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6N2S.K.H/c11-8-9-5-6-3-1-2-4-7(6)10-8;;/h1-5H,(H,9,10,11);;/q;+1;-1/p+1.
What are the key properties of potassium;hydride;hydron;1H-quinazoline-2-thione?
potassium;hydride;hydron;1H-quinazoline-2-thione has a molecular weight of 203.33 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;hydron;1H-quinazoline-2-thione is sourced from PubChem (CID 174528479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).