dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate

C8H10O4S — CID 23266283

IUPACdimethyl 2,3-dihydrothiophene-2,5-dicarboxylate
SMILESCOC(=O)C1=CCC(C(=O)OC)S1
InChIInChI=1S/C8H10O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3,6H,4H2,1-2H3
InChIKeyHQNKPYOPZKRNIS-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.72
Rot. Bonds2

About dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate

dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate (PubChem CID 23266283) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dihydrothiophene-2,5-dicarboxylate
PubChem CID23266283
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Namedimethyl 2,3-dihydrothiophene-2,5-dicarboxylate
SMILESCOC(=O)C1=CCC(C(=O)OC)S1
InChIInChI=1S/C8H10O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3,6H,4H2,1-2H3
InChIKeyHQNKPYOPZKRNIS-UHFFFAOYSA-N
XLogP0.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate?
The IUPAC name of dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate (CID 23266283) is dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate is COC(=O)C1=CCC(C(=O)OC)S1.
What is the InChIKey of dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate?
The InChIKey is HQNKPYOPZKRNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3,6H,4H2,1-2H3.
What are the key properties of dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate?
dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate has a molecular weight of 202.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dihydrothiophene-2,5-dicarboxylate is sourced from PubChem (CID 23266283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).