2-fluoroethyl N'-ethylcarbamimidothioate

C5H11FN2S — CID 130725494

IUPAC2-fluoroethyl N'-ethylcarbamimidothioate
SMILESCC/N=C(/N)SCCF
InChIInChI=1S/C5H11FN2S/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3,(H2,7,8)
InChIKeyIMSNIYBYQWSPHK-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.02
Rot. Bonds3

About 2-fluoroethyl N'-ethylcarbamimidothioate

2-fluoroethyl N'-ethylcarbamimidothioate (PubChem CID 130725494) has the molecular formula C5H11FN2S and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-fluoroethyl N'-ethylcarbamimidothioate.

Molecular Properties

Compound Name2-fluoroethyl N'-ethylcarbamimidothioate
PubChem CID130725494
Molecular FormulaC5H11FN2S
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name2-fluoroethyl N'-ethylcarbamimidothioate
SMILESCC/N=C(/N)SCCF
InChIInChI=1S/C5H11FN2S/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3,(H2,7,8)
InChIKeyIMSNIYBYQWSPHK-UHFFFAOYSA-N
XLogP1.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-fluoroethyl N'-ethylcarbamimidothioate?
The IUPAC name of 2-fluoroethyl N'-ethylcarbamimidothioate (CID 130725494) is 2-fluoroethyl N'-ethylcarbamimidothioate.
What is the SMILES notation for 2-fluoroethyl N'-ethylcarbamimidothioate?
The canonical SMILES for 2-fluoroethyl N'-ethylcarbamimidothioate is CC/N=C(/N)SCCF.
What is the InChIKey of 2-fluoroethyl N'-ethylcarbamimidothioate?
The InChIKey is IMSNIYBYQWSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2S/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3,(H2,7,8).
What are the key properties of 2-fluoroethyl N'-ethylcarbamimidothioate?
2-fluoroethyl N'-ethylcarbamimidothioate has a molecular weight of 150.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N'-ethylcarbamimidothioate is sourced from PubChem (CID 130725494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).