1,2-dihydropyridin-2-yl methanimidothioate

C6H8N2S — CID 88576556

IUPAC1,2-dihydropyridin-2-yl methanimidothioate
SMILES[H]/N=C/SC1C=CC=CN1
InChIInChI=1S/C6H8N2S/c7-5-9-6-3-1-2-4-8-6/h1-8H/b7-5+
InChIKeyJLLYIRTVKYWBGF-FNORWQNLSA-N
MW140.21 g/mol
LogP1.33
Rot. Bonds2

About 1,2-dihydropyridin-2-yl methanimidothioate

1,2-dihydropyridin-2-yl methanimidothioate (PubChem CID 88576556) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 1,2-dihydropyridin-2-yl methanimidothioate.

Molecular Properties

Compound Name1,2-dihydropyridin-2-yl methanimidothioate
PubChem CID88576556
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name1,2-dihydropyridin-2-yl methanimidothioate
SMILES[H]/N=C/SC1C=CC=CN1
InChIInChI=1S/C6H8N2S/c7-5-9-6-3-1-2-4-8-6/h1-8H/b7-5+
InChIKeyJLLYIRTVKYWBGF-FNORWQNLSA-N
XLogP1.33
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,2-dihydropyridin-2-yl methanimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-2-yl methanimidothioate?
The IUPAC name of 1,2-dihydropyridin-2-yl methanimidothioate (CID 88576556) is 1,2-dihydropyridin-2-yl methanimidothioate.
What is the SMILES notation for 1,2-dihydropyridin-2-yl methanimidothioate?
The canonical SMILES for 1,2-dihydropyridin-2-yl methanimidothioate is [H]/N=C/SC1C=CC=CN1.
What is the InChIKey of 1,2-dihydropyridin-2-yl methanimidothioate?
The InChIKey is JLLYIRTVKYWBGF-FNORWQNLSA-N. The full InChI is InChI=1S/C6H8N2S/c7-5-9-6-3-1-2-4-8-6/h1-8H/b7-5+.
What are the key properties of 1,2-dihydropyridin-2-yl methanimidothioate?
1,2-dihydropyridin-2-yl methanimidothioate has a molecular weight of 140.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-2-yl methanimidothioate is sourced from PubChem (CID 88576556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).