4-thiophen-2-ylsulfanylbutanimidamide

C8H12N2S2 — CID 28602938

IUPAC4-thiophen-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1cccs1
InChIInChI=1S/C8H12N2S2/c9-7(10)3-1-5-11-8-4-2-6-12-8/h2,4,6H,1,3,5H2,(H3,9,10)
InChIKeyUYQGZRUEYVSTEV-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.56
Rot. Bonds5

About 4-thiophen-2-ylsulfanylbutanimidamide

4-thiophen-2-ylsulfanylbutanimidamide (PubChem CID 28602938) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-thiophen-2-ylsulfanylbutanimidamide.

Molecular Properties

Compound Name4-thiophen-2-ylsulfanylbutanimidamide
PubChem CID28602938
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name4-thiophen-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1cccs1
InChIInChI=1S/C8H12N2S2/c9-7(10)3-1-5-11-8-4-2-6-12-8/h2,4,6H,1,3,5H2,(H3,9,10)
InChIKeyUYQGZRUEYVSTEV-UHFFFAOYSA-N
XLogP2.56
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-thiophen-2-ylsulfanylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylsulfanylbutanimidamide?
The IUPAC name of 4-thiophen-2-ylsulfanylbutanimidamide (CID 28602938) is 4-thiophen-2-ylsulfanylbutanimidamide.
What is the SMILES notation for 4-thiophen-2-ylsulfanylbutanimidamide?
The canonical SMILES for 4-thiophen-2-ylsulfanylbutanimidamide is [H]/N=C(\N)CCCSc1cccs1.
What is the InChIKey of 4-thiophen-2-ylsulfanylbutanimidamide?
The InChIKey is UYQGZRUEYVSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c9-7(10)3-1-5-11-8-4-2-6-12-8/h2,4,6H,1,3,5H2,(H3,9,10).
What are the key properties of 4-thiophen-2-ylsulfanylbutanimidamide?
4-thiophen-2-ylsulfanylbutanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylsulfanylbutanimidamide is sourced from PubChem (CID 28602938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).