ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride

C8H12FN3S — CID 45260381

IUPACethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride
SMILESCCS/C(N)=N\c1ccncc1.F
InChIInChI=1S/C8H11N3S.FH/c1-2-12-8(9)11-7-3-5-10-6-4-7;/h3-6H,2H2,1H3,(H2,9,10,11);1H
InChIKeyWPLIKHOGMJMKQO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.93
Rot. Bonds2

About ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride

ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride (PubChem CID 45260381) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride.

Molecular Properties

Compound Nameethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride
PubChem CID45260381
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Nameethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride
SMILESCCS/C(N)=N\c1ccncc1.F
InChIInChI=1S/C8H11N3S.FH/c1-2-12-8(9)11-7-3-5-10-6-4-7;/h3-6H,2H2,1H3,(H2,9,10,11);1H
InChIKeyWPLIKHOGMJMKQO-UHFFFAOYSA-N
XLogP1.93
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride?
The IUPAC name of ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride (CID 45260381) is ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride.
What is the SMILES notation for ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride?
The canonical SMILES for ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride is CCS/C(N)=N\c1ccncc1.F.
What is the InChIKey of ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride?
The InChIKey is WPLIKHOGMJMKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S.FH/c1-2-12-8(9)11-7-3-5-10-6-4-7;/h3-6H,2H2,1H3,(H2,9,10,11);1H.
What are the key properties of ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride?
ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride has a molecular weight of 201.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride is sourced from PubChem (CID 45260381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).