hydroxy 2-ethylpyridine-4-carboximidothioate

C8H10N2OS — CID 46781516

IUPAChydroxy 2-ethylpyridine-4-carboximidothioate
SMILES[H]/N=C(\SO)c1ccnc(CC)c1
InChIInChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5,9,11H,2H2,1H3/b9-8-
InChIKeyCMBWETLDOSDAMG-HJWRWDBZSA-N
MW182.25 g/mol
LogP2.18
Rot. Bonds2

About hydroxy 2-ethylpyridine-4-carboximidothioate

hydroxy 2-ethylpyridine-4-carboximidothioate (PubChem CID 46781516) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is hydroxy 2-ethylpyridine-4-carboximidothioate.

Molecular Properties

Compound Namehydroxy 2-ethylpyridine-4-carboximidothioate
PubChem CID46781516
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Namehydroxy 2-ethylpyridine-4-carboximidothioate
SMILES[H]/N=C(\SO)c1ccnc(CC)c1
InChIInChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5,9,11H,2H2,1H3/b9-8-
InChIKeyCMBWETLDOSDAMG-HJWRWDBZSA-N
XLogP2.18
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy 2-ethylpyridine-4-carboximidothioate?
The IUPAC name of hydroxy 2-ethylpyridine-4-carboximidothioate (CID 46781516) is hydroxy 2-ethylpyridine-4-carboximidothioate.
What is the SMILES notation for hydroxy 2-ethylpyridine-4-carboximidothioate?
The canonical SMILES for hydroxy 2-ethylpyridine-4-carboximidothioate is [H]/N=C(\SO)c1ccnc(CC)c1.
What is the InChIKey of hydroxy 2-ethylpyridine-4-carboximidothioate?
The InChIKey is CMBWETLDOSDAMG-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5,9,11H,2H2,1H3/b9-8-.
What are the key properties of hydroxy 2-ethylpyridine-4-carboximidothioate?
hydroxy 2-ethylpyridine-4-carboximidothioate has a molecular weight of 182.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy 2-ethylpyridine-4-carboximidothioate is sourced from PubChem (CID 46781516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).