4-ethylthiophene-2-carbonyl chloride

C7H7ClOS — CID 130405641

IUPAC4-ethylthiophene-2-carbonyl chloride
SMILESCCc1csc(C(=O)Cl)c1
InChIInChI=1S/C7H7ClOS/c1-2-5-3-6(7(8)9)10-4-5/h3-4H,2H2,1H3
InChIKeyUVOVHYJFVMPHJF-UHFFFAOYSA-N
MW174.65 g/mol
LogP2.69
Rot. Bonds2

About 4-ethylthiophene-2-carbonyl chloride

4-ethylthiophene-2-carbonyl chloride (PubChem CID 130405641) has the molecular formula C7H7ClOS and a molecular weight of 174.65 g/mol. Its IUPAC name is 4-ethylthiophene-2-carbonyl chloride.

Molecular Properties

Compound Name4-ethylthiophene-2-carbonyl chloride
PubChem CID130405641
Molecular FormulaC7H7ClOS
Molecular Weight174.65 g/mol
Exact Mass173.99
IUPAC Name4-ethylthiophene-2-carbonyl chloride
SMILESCCc1csc(C(=O)Cl)c1
InChIInChI=1S/C7H7ClOS/c1-2-5-3-6(7(8)9)10-4-5/h3-4H,2H2,1H3
InChIKeyUVOVHYJFVMPHJF-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylthiophene-2-carbonyl chloride?
The IUPAC name of 4-ethylthiophene-2-carbonyl chloride (CID 130405641) is 4-ethylthiophene-2-carbonyl chloride.
What is the SMILES notation for 4-ethylthiophene-2-carbonyl chloride?
The canonical SMILES for 4-ethylthiophene-2-carbonyl chloride is CCc1csc(C(=O)Cl)c1.
What is the InChIKey of 4-ethylthiophene-2-carbonyl chloride?
The InChIKey is UVOVHYJFVMPHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClOS/c1-2-5-3-6(7(8)9)10-4-5/h3-4H,2H2,1H3.
What are the key properties of 4-ethylthiophene-2-carbonyl chloride?
4-ethylthiophene-2-carbonyl chloride has a molecular weight of 174.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiophene-2-carbonyl chloride is sourced from PubChem (CID 130405641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).