3-aminothiophene-2-carboximidoyl chloride

C5H5ClN2S — CID 137031049

IUPAC3-aminothiophene-2-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1sccc1N
InChIInChI=1S/C5H5ClN2S/c6-5(8)4-3(7)1-2-9-4/h1-2,8H,7H2/b8-5-
InChIKeyFIWIIXUEYJEBJM-YVMONPNESA-N
MW160.63 g/mol
LogP1.89
Rot. Bonds1

About 3-aminothiophene-2-carboximidoyl chloride

3-aminothiophene-2-carboximidoyl chloride (PubChem CID 137031049) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 3-aminothiophene-2-carboximidoyl chloride.

Molecular Properties

Compound Name3-aminothiophene-2-carboximidoyl chloride
PubChem CID137031049
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name3-aminothiophene-2-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1sccc1N
InChIInChI=1S/C5H5ClN2S/c6-5(8)4-3(7)1-2-9-4/h1-2,8H,7H2/b8-5-
InChIKeyFIWIIXUEYJEBJM-YVMONPNESA-N
XLogP1.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminothiophene-2-carboximidoyl chloride?
The IUPAC name of 3-aminothiophene-2-carboximidoyl chloride (CID 137031049) is 3-aminothiophene-2-carboximidoyl chloride.
What is the SMILES notation for 3-aminothiophene-2-carboximidoyl chloride?
The canonical SMILES for 3-aminothiophene-2-carboximidoyl chloride is [H]/N=C(\Cl)c1sccc1N.
What is the InChIKey of 3-aminothiophene-2-carboximidoyl chloride?
The InChIKey is FIWIIXUEYJEBJM-YVMONPNESA-N. The full InChI is InChI=1S/C5H5ClN2S/c6-5(8)4-3(7)1-2-9-4/h1-2,8H,7H2/b8-5-.
What are the key properties of 3-aminothiophene-2-carboximidoyl chloride?
3-aminothiophene-2-carboximidoyl chloride has a molecular weight of 160.63 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothiophene-2-carboximidoyl chloride is sourced from PubChem (CID 137031049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).