potassium 3,4-dihydropyridine-6-thiolate

C5H6KNS — CID 142053342

IUPACpotassium 3,4-dihydropyridine-6-thiolate
SMILES[K+].[S-]C1=CCCC=N1
InChIInChI=1S/C5H7NS.K/c7-5-3-1-2-4-6-5;/h3-4,7H,1-2H2;/q;+1/p-1
InChIKeyCPKOCWRLZMTZHZ-UHFFFAOYSA-M
MW151.28 g/mol
LogP-1.76
Rot. Bonds

About potassium 3,4-dihydropyridine-6-thiolate

potassium 3,4-dihydropyridine-6-thiolate (PubChem CID 142053342) has the molecular formula C5H6KNS and a molecular weight of 151.28 g/mol. Its IUPAC name is potassium 3,4-dihydropyridine-6-thiolate.

Molecular Properties

Compound Namepotassium 3,4-dihydropyridine-6-thiolate
PubChem CID142053342
Molecular FormulaC5H6KNS
Molecular Weight151.28 g/mol
Exact Mass150.99
IUPAC Namepotassium 3,4-dihydropyridine-6-thiolate
SMILES[K+].[S-]C1=CCCC=N1
InChIInChI=1S/C5H7NS.K/c7-5-3-1-2-4-6-5;/h3-4,7H,1-2H2;/q;+1/p-1
InChIKeyCPKOCWRLZMTZHZ-UHFFFAOYSA-M
XLogP-1.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.28
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyridine-4(3H)-thione
CID 14762676
6-(disulfanyl)-3H-pyridine-4-thione
CID 20026821
3,4-Dihydropyridine-6-thiol
CID 89064673
6-(Methyldisulfanyl)-3,4-dihydropyridine
CID 89263268
6-(Disulfanyl)-3,4-dihydropyridine
CID 148207186
3,4-Dihydropyridin-1-ium
CID 152774519
3H-pyridine-4,4-dithiol
CID 73947317

Frequently Asked Questions

What is the IUPAC name of potassium 3,4-dihydropyridine-6-thiolate?
The IUPAC name of potassium 3,4-dihydropyridine-6-thiolate (CID 142053342) is potassium 3,4-dihydropyridine-6-thiolate.
What is the SMILES notation for potassium 3,4-dihydropyridine-6-thiolate?
The canonical SMILES for potassium 3,4-dihydropyridine-6-thiolate is [K+].[S-]C1=CCCC=N1.
What is the InChIKey of potassium 3,4-dihydropyridine-6-thiolate?
The InChIKey is CPKOCWRLZMTZHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NS.K/c7-5-3-1-2-4-6-5;/h3-4,7H,1-2H2;/q;+1/p-1.
What are the key properties of potassium 3,4-dihydropyridine-6-thiolate?
potassium 3,4-dihydropyridine-6-thiolate has a molecular weight of 151.28 g/mol, XLogP of -1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,4-dihydropyridine-6-thiolate is sourced from PubChem (CID 142053342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).