4-thiophen-3-yloxybutanoyl chloride

C8H9ClO2S — CID 165145496

IUPAC4-thiophen-3-yloxybutanoyl chloride
SMILESO=C(Cl)CCCOc1ccsc1
InChIInChI=1S/C8H9ClO2S/c9-8(10)2-1-4-11-7-3-5-12-6-7/h3,5-6H,1-2,4H2
InChIKeyTWMMNUFGEHKMPM-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.67
Rot. Bonds5

About 4-thiophen-3-yloxybutanoyl chloride

4-thiophen-3-yloxybutanoyl chloride (PubChem CID 165145496) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is 4-thiophen-3-yloxybutanoyl chloride.

Molecular Properties

Compound Name4-thiophen-3-yloxybutanoyl chloride
PubChem CID165145496
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name4-thiophen-3-yloxybutanoyl chloride
SMILESO=C(Cl)CCCOc1ccsc1
InChIInChI=1S/C8H9ClO2S/c9-8(10)2-1-4-11-7-3-5-12-6-7/h3,5-6H,1-2,4H2
InChIKeyTWMMNUFGEHKMPM-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-thiophen-3-yloxybutanoyl chloride 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-3-yloxybutanoyl chloride?
The IUPAC name of 4-thiophen-3-yloxybutanoyl chloride (CID 165145496) is 4-thiophen-3-yloxybutanoyl chloride.
What is the SMILES notation for 4-thiophen-3-yloxybutanoyl chloride?
The canonical SMILES for 4-thiophen-3-yloxybutanoyl chloride is O=C(Cl)CCCOc1ccsc1.
What is the InChIKey of 4-thiophen-3-yloxybutanoyl chloride?
The InChIKey is TWMMNUFGEHKMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c9-8(10)2-1-4-11-7-3-5-12-6-7/h3,5-6H,1-2,4H2.
What are the key properties of 4-thiophen-3-yloxybutanoyl chloride?
4-thiophen-3-yloxybutanoyl chloride has a molecular weight of 204.68 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yloxybutanoyl chloride is sourced from PubChem (CID 165145496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).