diethyl 2,5-dichlorothiophene-3,4-dicarboxylate

C10H10Cl2O4S — CID 102280314

IUPACdiethyl 2,5-dichlorothiophene-3,4-dicarboxylate
SMILESCCOC(=O)c1c(Cl)sc(Cl)c1C(=O)OCC
InChIInChI=1S/C10H10Cl2O4S/c1-3-15-9(13)5-6(10(14)16-4-2)8(12)17-7(5)11/h3-4H2,1-2H3
InChIKeyWJJSAALYFGRZAL-UHFFFAOYSA-N
MW297.16 g/mol
LogP3.41
Rot. Bonds4

About diethyl 2,5-dichlorothiophene-3,4-dicarboxylate

diethyl 2,5-dichlorothiophene-3,4-dicarboxylate (PubChem CID 102280314) has the molecular formula C10H10Cl2O4S and a molecular weight of 297.16 g/mol. Its IUPAC name is diethyl 2,5-dichlorothiophene-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,5-dichlorothiophene-3,4-dicarboxylate
PubChem CID102280314
Molecular FormulaC10H10Cl2O4S
Molecular Weight297.16 g/mol
Exact Mass295.97
IUPAC Namediethyl 2,5-dichlorothiophene-3,4-dicarboxylate
SMILESCCOC(=O)c1c(Cl)sc(Cl)c1C(=O)OCC
InChIInChI=1S/C10H10Cl2O4S/c1-3-15-9(13)5-6(10(14)16-4-2)8(12)17-7(5)11/h3-4H2,1-2H3
InChIKeyWJJSAALYFGRZAL-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
ethyl 2,5-dichloro-4-(4-ethoxycarbonylphenyl)thiophene-3-carboxylate
CID 102280305
ethyl 5-amino-2-chloro-4-cyanothiophene-3-carboxylate
CID 171935299
2,5-dichloro-4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 139767095
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
diethyl 2,5-bis(methylsulfanyl)thiophene-3,4-dicarboxylate
CID 101083884
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 2,6-dichloro-4-iodobenzoate
CID 51341876
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340

Frequently Asked Questions

What is the IUPAC name of diethyl 2,5-dichlorothiophene-3,4-dicarboxylate?
The IUPAC name of diethyl 2,5-dichlorothiophene-3,4-dicarboxylate (CID 102280314) is diethyl 2,5-dichlorothiophene-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2,5-dichlorothiophene-3,4-dicarboxylate?
The canonical SMILES for diethyl 2,5-dichlorothiophene-3,4-dicarboxylate is CCOC(=O)c1c(Cl)sc(Cl)c1C(=O)OCC.
What is the InChIKey of diethyl 2,5-dichlorothiophene-3,4-dicarboxylate?
The InChIKey is WJJSAALYFGRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4S/c1-3-15-9(13)5-6(10(14)16-4-2)8(12)17-7(5)11/h3-4H2,1-2H3.
What are the key properties of diethyl 2,5-dichlorothiophene-3,4-dicarboxylate?
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate has a molecular weight of 297.16 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,5-dichlorothiophene-3,4-dicarboxylate is sourced from PubChem (CID 102280314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).