3-ethanethioylimino-2-fluoropropanamide

C5H7FN2OS — CID 57218633

IUPAC3-ethanethioylimino-2-fluoropropanamide
SMILESCC(=S)/N=C/C(F)C(N)=O
InChIInChI=1S/C5H7FN2OS/c1-3(10)8-2-4(6)5(7)9/h2,4H,1H3,(H2,7,9)/b8-2+
InChIKeyVMMLGJQIFQFPBW-KRXBUXKQSA-N
MW162.19 g/mol
LogP0.23
Rot. Bonds2

About 3-ethanethioylimino-2-fluoropropanamide

3-ethanethioylimino-2-fluoropropanamide (PubChem CID 57218633) has the molecular formula C5H7FN2OS and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethanethioylimino-2-fluoropropanamide.

Molecular Properties

Compound Name3-ethanethioylimino-2-fluoropropanamide
PubChem CID57218633
Molecular FormulaC5H7FN2OS
Molecular Weight162.19 g/mol
Exact Mass162.03
IUPAC Name3-ethanethioylimino-2-fluoropropanamide
SMILESCC(=S)/N=C/C(F)C(N)=O
InChIInChI=1S/C5H7FN2OS/c1-3(10)8-2-4(6)5(7)9/h2,4H,1H3,(H2,7,9)/b8-2+
InChIKeyVMMLGJQIFQFPBW-KRXBUXKQSA-N
XLogP0.23
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethanethioylimino-2-fluoropropanamide?
The IUPAC name of 3-ethanethioylimino-2-fluoropropanamide (CID 57218633) is 3-ethanethioylimino-2-fluoropropanamide.
What is the SMILES notation for 3-ethanethioylimino-2-fluoropropanamide?
The canonical SMILES for 3-ethanethioylimino-2-fluoropropanamide is CC(=S)/N=C/C(F)C(N)=O.
What is the InChIKey of 3-ethanethioylimino-2-fluoropropanamide?
The InChIKey is VMMLGJQIFQFPBW-KRXBUXKQSA-N. The full InChI is InChI=1S/C5H7FN2OS/c1-3(10)8-2-4(6)5(7)9/h2,4H,1H3,(H2,7,9)/b8-2+.
What are the key properties of 3-ethanethioylimino-2-fluoropropanamide?
3-ethanethioylimino-2-fluoropropanamide has a molecular weight of 162.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanethioylimino-2-fluoropropanamide is sourced from PubChem (CID 57218633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).