dimethyl 3-methylthiophene-2,4-dicarboxylate

C9H10O4S — CID 673684

IUPACdimethyl 3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1csc(C(=O)OC)c1C
InChIInChI=1S/C9H10O4S/c1-5-6(8(10)12-2)4-14-7(5)9(11)13-3/h4H,1-3H3
InChIKeyRSYMPAMELGIPOR-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.63
Rot. Bonds2

About dimethyl 3-methylthiophene-2,4-dicarboxylate

dimethyl 3-methylthiophene-2,4-dicarboxylate (PubChem CID 673684) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is dimethyl 3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methylthiophene-2,4-dicarboxylate
PubChem CID673684
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Namedimethyl 3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1csc(C(=O)OC)c1C
InChIInChI=1S/C9H10O4S/c1-5-6(8(10)12-2)4-14-7(5)9(11)13-3/h4H,1-3H3
InChIKeyRSYMPAMELGIPOR-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 3-methylthiophene-2,4-dicarboxylate 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

methyl 4-methyl-5-[1-(4-oxocyclohexylidene)propyl]thiophene-3-carboxylate
CID 121305287
methyl 5-[1-(4-hydroxy-4-methoxycyclohexylidene)propyl]-4-methylthiophene-3-carboxylate
CID 145071529
dimethyl 2-cyanothiophene-3,4-dicarboxylate
CID 150659561
methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
CID 114835353
4-tert-butyl-5-methoxycarbonylthiophene-3-carboxylic acid
CID 83234421
methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
CID 174782920
methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
CID 157104482
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
5-(1-hydroxy-2,2-dimethylpropoxy)carbonyl-4-methylthiophene-3-carboxylic acid
CID 10401033
tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
CID 144740528
methyl 5-(7-but-3-enoxyheptanoyl)-4-methylthiophene-3-carboxylate
CID 144740519
methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate
CID 123337673

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methylthiophene-2,4-dicarboxylate (CID 673684) is dimethyl 3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methylthiophene-2,4-dicarboxylate is COC(=O)c1csc(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methylthiophene-2,4-dicarboxylate?
The InChIKey is RSYMPAMELGIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c1-5-6(8(10)12-2)4-14-7(5)9(11)13-3/h4H,1-3H3.
What are the key properties of dimethyl 3-methylthiophene-2,4-dicarboxylate?
dimethyl 3-methylthiophene-2,4-dicarboxylate has a molecular weight of 214.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 673684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).