(2,4,5-trichlorothiophen-3-yl) acetate

C6H3Cl3O2S — CID 641036

IUPAC(2,4,5-trichlorothiophen-3-yl) acetate
SMILESCC(=O)Oc1c(Cl)sc(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O2S/c1-2(10)11-4-3(7)5(8)12-6(4)9/h1H3
InChIKeyAPUZZIPGCHMHDM-UHFFFAOYSA-N
MW245.51 g/mol
LogP3.63
Rot. Bonds1

About (2,4,5-trichlorothiophen-3-yl) acetate

(2,4,5-trichlorothiophen-3-yl) acetate (PubChem CID 641036) has the molecular formula C6H3Cl3O2S and a molecular weight of 245.51 g/mol. Its IUPAC name is (2,4,5-trichlorothiophen-3-yl) acetate.

Molecular Properties

Compound Name(2,4,5-trichlorothiophen-3-yl) acetate
PubChem CID641036
Molecular FormulaC6H3Cl3O2S
Molecular Weight245.51 g/mol
Exact Mass243.89
IUPAC Name(2,4,5-trichlorothiophen-3-yl) acetate
SMILESCC(=O)Oc1c(Cl)sc(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O2S/c1-2(10)11-4-3(7)5(8)12-6(4)9/h1H3
InChIKeyAPUZZIPGCHMHDM-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichlorothiophen-3-yl) acetate?
The IUPAC name of (2,4,5-trichlorothiophen-3-yl) acetate (CID 641036) is (2,4,5-trichlorothiophen-3-yl) acetate.
What is the SMILES notation for (2,4,5-trichlorothiophen-3-yl) acetate?
The canonical SMILES for (2,4,5-trichlorothiophen-3-yl) acetate is CC(=O)Oc1c(Cl)sc(Cl)c1Cl.
What is the InChIKey of (2,4,5-trichlorothiophen-3-yl) acetate?
The InChIKey is APUZZIPGCHMHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O2S/c1-2(10)11-4-3(7)5(8)12-6(4)9/h1H3.
What are the key properties of (2,4,5-trichlorothiophen-3-yl) acetate?
(2,4,5-trichlorothiophen-3-yl) acetate has a molecular weight of 245.51 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trichlorothiophen-3-yl) acetate is sourced from PubChem (CID 641036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).