4-ethoxybutanethioamide

C6H13NOS — CID 24703544

IUPAC4-ethoxybutanethioamide
SMILESCCOCCCC(N)=S
InChIInChI=1S/C6H13NOS/c1-2-8-5-3-4-6(7)9/h2-5H2,1H3,(H2,7,9)
InChIKeyHAJPFFFCVJHXAY-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.09
Rot. Bonds5

About 4-ethoxybutanethioamide

4-ethoxybutanethioamide (PubChem CID 24703544) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-ethoxybutanethioamide.

Molecular Properties

Compound Name4-ethoxybutanethioamide
PubChem CID24703544
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name4-ethoxybutanethioamide
SMILESCCOCCCC(N)=S
InChIInChI=1S/C6H13NOS/c1-2-8-5-3-4-6(7)9/h2-5H2,1H3,(H2,7,9)
InChIKeyHAJPFFFCVJHXAY-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxybutanethioamide 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-ethoxybutanethioamide?
The IUPAC name of 4-ethoxybutanethioamide (CID 24703544) is 4-ethoxybutanethioamide.
What is the SMILES notation for 4-ethoxybutanethioamide?
The canonical SMILES for 4-ethoxybutanethioamide is CCOCCCC(N)=S.
What is the InChIKey of 4-ethoxybutanethioamide?
The InChIKey is HAJPFFFCVJHXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-8-5-3-4-6(7)9/h2-5H2,1H3,(H2,7,9).
What are the key properties of 4-ethoxybutanethioamide?
4-ethoxybutanethioamide has a molecular weight of 147.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybutanethioamide is sourced from PubChem (CID 24703544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).