dimethyl thiophene-3,4-dicarboxylate

C8H8O4S — CID 58401193

IUPACdimethyl thiophene-3,4-dicarboxylate
SMILESCOC(=O)c1cscc1C(=O)OC
InChIInChI=1S/C8H8O4S/c1-11-7(9)5-3-13-4-6(5)8(10)12-2/h3-4H,1-2H3
InChIKeyMEPFISOQOOJNJL-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.32
Rot. Bonds2

About dimethyl thiophene-3,4-dicarboxylate

dimethyl thiophene-3,4-dicarboxylate (PubChem CID 58401193) has the molecular formula C8H8O4S and a molecular weight of 200.21 g/mol. Its IUPAC name is dimethyl thiophene-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl thiophene-3,4-dicarboxylate
PubChem CID58401193
Molecular FormulaC8H8O4S
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Namedimethyl thiophene-3,4-dicarboxylate
SMILESCOC(=O)c1cscc1C(=O)OC
InChIInChI=1S/C8H8O4S/c1-11-7(9)5-3-13-4-6(5)8(10)12-2/h3-4H,1-2H3
InChIKeyMEPFISOQOOJNJL-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

ethane;methyl 4-aminothiophene-3-carboxylate
CID 143551713
2-(4-methoxycarbonylthiophen-3-yl)acetic acid
CID 138046216
methyl 4-butan-2-ylthiophene-3-carboxylate
CID 114748244
methyl 4-cyclohexylthiophene-3-carboxylate
CID 114748233
methyl 4-(4-chlorophenyl)sulfanylthiophene-3-carboxylate
CID 2778937
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
diethyl 2-[[(4-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate
CID 126455488
methyl 4-(3-aminophenyl)thiophene-3-carboxylate
CID 117223546
methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate
CID 19693759
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of dimethyl thiophene-3,4-dicarboxylate?
The IUPAC name of dimethyl thiophene-3,4-dicarboxylate (CID 58401193) is dimethyl thiophene-3,4-dicarboxylate.
What is the SMILES notation for dimethyl thiophene-3,4-dicarboxylate?
The canonical SMILES for dimethyl thiophene-3,4-dicarboxylate is COC(=O)c1cscc1C(=O)OC.
What is the InChIKey of dimethyl thiophene-3,4-dicarboxylate?
The InChIKey is MEPFISOQOOJNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-11-7(9)5-3-13-4-6(5)8(10)12-2/h3-4H,1-2H3.
What are the key properties of dimethyl thiophene-3,4-dicarboxylate?
dimethyl thiophene-3,4-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-3,4-dicarboxylate is sourced from PubChem (CID 58401193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).