2-(4,5-dichlorothiophen-2-yl)acetyl chloride

C6H3Cl3OS — CID 13377461

IUPAC2-(4,5-dichlorothiophen-2-yl)acetyl chloride
SMILESO=C(Cl)Cc1cc(Cl)c(Cl)s1
InChIInChI=1S/C6H3Cl3OS/c7-4-1-3(2-5(8)10)11-6(4)9/h1H,2H2
InChIKeySMXNAOMXZBNZEW-UHFFFAOYSA-N
MW229.51 g/mol
LogP3.36
Rot. Bonds2

About 2-(4,5-dichlorothiophen-2-yl)acetyl chloride

2-(4,5-dichlorothiophen-2-yl)acetyl chloride (PubChem CID 13377461) has the molecular formula C6H3Cl3OS and a molecular weight of 229.51 g/mol. Its IUPAC name is 2-(4,5-dichlorothiophen-2-yl)acetyl chloride.

Molecular Properties

Compound Name2-(4,5-dichlorothiophen-2-yl)acetyl chloride
PubChem CID13377461
Molecular FormulaC6H3Cl3OS
Molecular Weight229.51 g/mol
Exact Mass227.90
IUPAC Name2-(4,5-dichlorothiophen-2-yl)acetyl chloride
SMILESO=C(Cl)Cc1cc(Cl)c(Cl)s1
InChIInChI=1S/C6H3Cl3OS/c7-4-1-3(2-5(8)10)11-6(4)9/h1H,2H2
InChIKeySMXNAOMXZBNZEW-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.51
LogP ≤ 53.36
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 2-(4,5-dichlorothiophen-2-yl)acetyl chloride?
The IUPAC name of 2-(4,5-dichlorothiophen-2-yl)acetyl chloride (CID 13377461) is 2-(4,5-dichlorothiophen-2-yl)acetyl chloride.
What is the SMILES notation for 2-(4,5-dichlorothiophen-2-yl)acetyl chloride?
The canonical SMILES for 2-(4,5-dichlorothiophen-2-yl)acetyl chloride is O=C(Cl)Cc1cc(Cl)c(Cl)s1.
What is the InChIKey of 2-(4,5-dichlorothiophen-2-yl)acetyl chloride?
The InChIKey is SMXNAOMXZBNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3OS/c7-4-1-3(2-5(8)10)11-6(4)9/h1H,2H2.
What are the key properties of 2-(4,5-dichlorothiophen-2-yl)acetyl chloride?
2-(4,5-dichlorothiophen-2-yl)acetyl chloride has a molecular weight of 229.51 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichlorothiophen-2-yl)acetyl chloride is sourced from PubChem (CID 13377461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).