1-ethenyl-2H-pyridine;thiocyanic acid

C8H10N2S — CID 174748145

IUPAC1-ethenyl-2H-pyridine;thiocyanic acid
SMILESC=CN1C=CC=CC1.N#CS
InChIInChI=1S/C7H9N.CHNS/c1-2-8-6-4-3-5-7-8;2-1-3/h2-6H,1,7H2;3H
InChIKeyGXMGTMOWFNGXRU-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.91
Rot. Bonds1

About 1-ethenyl-2H-pyridine;thiocyanic acid

1-ethenyl-2H-pyridine;thiocyanic acid (PubChem CID 174748145) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-ethenyl-2H-pyridine;thiocyanic acid.

Molecular Properties

Compound Name1-ethenyl-2H-pyridine;thiocyanic acid
PubChem CID174748145
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name1-ethenyl-2H-pyridine;thiocyanic acid
SMILESC=CN1C=CC=CC1.N#CS
InChIInChI=1S/C7H9N.CHNS/c1-2-8-6-4-3-5-7-8;2-1-3/h2-6H,1,7H2;3H
InChIKeyGXMGTMOWFNGXRU-UHFFFAOYSA-N
XLogP1.91
TPSA27.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-ethenyl-2H-pyridine;thiocyanic acid 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-ethenyl-2H-pyridine;thiocyanic acid?
The IUPAC name of 1-ethenyl-2H-pyridine;thiocyanic acid (CID 174748145) is 1-ethenyl-2H-pyridine;thiocyanic acid.
What is the SMILES notation for 1-ethenyl-2H-pyridine;thiocyanic acid?
The canonical SMILES for 1-ethenyl-2H-pyridine;thiocyanic acid is C=CN1C=CC=CC1.N#CS.
What is the InChIKey of 1-ethenyl-2H-pyridine;thiocyanic acid?
The InChIKey is GXMGTMOWFNGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CHNS/c1-2-8-6-4-3-5-7-8;2-1-3/h2-6H,1,7H2;3H.
What are the key properties of 1-ethenyl-2H-pyridine;thiocyanic acid?
1-ethenyl-2H-pyridine;thiocyanic acid has a molecular weight of 166.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2H-pyridine;thiocyanic acid is sourced from PubChem (CID 174748145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).