dimethyl thiophene-2,4-dicarboxylate

C8H8O4S — CID 13156398

IUPACdimethyl thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1csc(C(=O)OC)c1
InChIInChI=1S/C8H8O4S/c1-11-7(9)5-3-6(13-4-5)8(10)12-2/h3-4H,1-2H3
InChIKeyGUYGZVVCZMIUTA-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.32
Rot. Bonds2

About dimethyl thiophene-2,4-dicarboxylate

dimethyl thiophene-2,4-dicarboxylate (PubChem CID 13156398) has the molecular formula C8H8O4S and a molecular weight of 200.21 g/mol. Its IUPAC name is dimethyl thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl thiophene-2,4-dicarboxylate
PubChem CID13156398
Molecular FormulaC8H8O4S
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Namedimethyl thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1csc(C(=O)OC)c1
InChIInChI=1S/C8H8O4S/c1-11-7(9)5-3-6(13-4-5)8(10)12-2/h3-4H,1-2H3
InChIKeyGUYGZVVCZMIUTA-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl thenoate
CID 79340
Ethyl 2-thenoate
CID 76052
Methyl 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate 5-oxide
CID 3238334
Thiophene-2,4-dicarboxylic acid
CID 255851
Methyl 3-methylthiophene-2-carboxylate
CID 580757
Methyl 4-methylthiophene-2-carboxylate
CID 2777593
Butyl 2-thenoate
CID 91997
Methyl 5-formylthiophene-3-carboxylate
CID 818925
4H,5H,7H-thieno[2,3-c]pyran-5,7-dione
CID 13546406
Methyl 3-formylthiophene-2-carboxylate
CID 255849
3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester
CID 639782
Methyl 4-formylthiophene-2-carboxylate
CID 13156396

Frequently Asked Questions

What is the IUPAC name of dimethyl thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl thiophene-2,4-dicarboxylate (CID 13156398) is dimethyl thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl thiophene-2,4-dicarboxylate is COC(=O)c1csc(C(=O)OC)c1.
What is the InChIKey of dimethyl thiophene-2,4-dicarboxylate?
The InChIKey is GUYGZVVCZMIUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-11-7(9)5-3-6(13-4-5)8(10)12-2/h3-4H,1-2H3.
What are the key properties of dimethyl thiophene-2,4-dicarboxylate?
dimethyl thiophene-2,4-dicarboxylate has a molecular weight of 200.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl thiophene-2,4-dicarboxylate is sourced from PubChem (CID 13156398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).