2-fluoroethyl N'-propylcarbamimidothioate

C6H13FN2S — CID 127018377

IUPAC2-fluoroethyl N'-propylcarbamimidothioate
SMILESCCC/N=C(/N)SCCF
InChIInChI=1S/C6H13FN2S/c1-2-4-9-6(8)10-5-3-7/h2-5H2,1H3,(H2,8,9)
InChIKeyQJFDBFVVEJCLFM-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.41
Rot. Bonds4

About 2-fluoroethyl N'-propylcarbamimidothioate

2-fluoroethyl N'-propylcarbamimidothioate (PubChem CID 127018377) has the molecular formula C6H13FN2S and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-fluoroethyl N'-propylcarbamimidothioate.

Molecular Properties

Compound Name2-fluoroethyl N'-propylcarbamimidothioate
PubChem CID127018377
Molecular FormulaC6H13FN2S
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2-fluoroethyl N'-propylcarbamimidothioate
SMILESCCC/N=C(/N)SCCF
InChIInChI=1S/C6H13FN2S/c1-2-4-9-6(8)10-5-3-7/h2-5H2,1H3,(H2,8,9)
InChIKeyQJFDBFVVEJCLFM-UHFFFAOYSA-N
XLogP1.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.41
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'-propylcarbamimidothioate?
The IUPAC name of 2-fluoroethyl N'-propylcarbamimidothioate (CID 127018377) is 2-fluoroethyl N'-propylcarbamimidothioate.
What is the SMILES notation for 2-fluoroethyl N'-propylcarbamimidothioate?
The canonical SMILES for 2-fluoroethyl N'-propylcarbamimidothioate is CCC/N=C(/N)SCCF.
What is the InChIKey of 2-fluoroethyl N'-propylcarbamimidothioate?
The InChIKey is QJFDBFVVEJCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2S/c1-2-4-9-6(8)10-5-3-7/h2-5H2,1H3,(H2,8,9).
What are the key properties of 2-fluoroethyl N'-propylcarbamimidothioate?
2-fluoroethyl N'-propylcarbamimidothioate has a molecular weight of 164.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N'-propylcarbamimidothioate is sourced from PubChem (CID 127018377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).