methyl 3,4-dimethoxythiophene-2-carboxylate

C8H10O4S — CID 167832202

IUPACmethyl 3,4-dimethoxythiophene-2-carboxylate
SMILESCOC(=O)c1scc(OC)c1OC
InChIInChI=1S/C8H10O4S/c1-10-5-4-13-7(6(5)11-2)8(9)12-3/h4H,1-3H3
InChIKeyWQCLNPJKRPWJEN-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.55
Rot. Bonds3

About methyl 3,4-dimethoxythiophene-2-carboxylate

methyl 3,4-dimethoxythiophene-2-carboxylate (PubChem CID 167832202) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is methyl 3,4-dimethoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethoxythiophene-2-carboxylate
PubChem CID167832202
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Namemethyl 3,4-dimethoxythiophene-2-carboxylate
SMILESCOC(=O)c1scc(OC)c1OC
InChIInChI=1S/C8H10O4S/c1-10-5-4-13-7(6(5)11-2)8(9)12-3/h4H,1-3H3
InChIKeyWQCLNPJKRPWJEN-UHFFFAOYSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3,4-dimethoxythiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-methoxythiophene-2-carboxylic acid;methyl 4-bromo-3-methoxythiophene-2-carboxylate
CID 162093670
methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
CID 18434811
2-(3,4-dimethoxythiophen-2-yl)acetic acid
CID 96761580
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
methyl 4-iodo-3-(4-iodo-2-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 56694840
methyl 4-bromo-3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
CID 15588110
ethyl 3-methoxy-4-methylthiophene-2-carboxylate
CID 70658420
methyl 4-bromo-3-(cyclobutylmethoxy)thiophene-2-carboxylate
CID 166436345
3,4-dimethoxythiophen-2-amine
CID 88979037
methyl 3-amino-4-chlorothiophene-2-carboxylate
CID 22139844
4-bromo-2-methoxycarbonylthiophene-3-carboxylic acid
CID 67232935
methyl 3-(1-amino-1-oxopropan-2-yl)oxy-4-bromothiophene-2-carboxylate
CID 67959278

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethoxythiophene-2-carboxylate?
The IUPAC name of methyl 3,4-dimethoxythiophene-2-carboxylate (CID 167832202) is methyl 3,4-dimethoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3,4-dimethoxythiophene-2-carboxylate?
The canonical SMILES for methyl 3,4-dimethoxythiophene-2-carboxylate is COC(=O)c1scc(OC)c1OC.
What is the InChIKey of methyl 3,4-dimethoxythiophene-2-carboxylate?
The InChIKey is WQCLNPJKRPWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-10-5-4-13-7(6(5)11-2)8(9)12-3/h4H,1-3H3.
What are the key properties of methyl 3,4-dimethoxythiophene-2-carboxylate?
methyl 3,4-dimethoxythiophene-2-carboxylate has a molecular weight of 202.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethoxythiophene-2-carboxylate is sourced from PubChem (CID 167832202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).