2-methoxyethyl 5-methylthiophene-2-carboxylate

C9H12O3S — CID 78830752

IUPAC2-methoxyethyl 5-methylthiophene-2-carboxylate
SMILESCOCCOC(=O)c1ccc(C)s1
InChIInChI=1S/C9H12O3S/c1-7-3-4-8(13-7)9(10)12-6-5-11-2/h3-4H,5-6H2,1-2H3
InChIKeyMURZIGDBVJJSSA-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.86
Rot. Bonds4

About 2-methoxyethyl 5-methylthiophene-2-carboxylate

2-methoxyethyl 5-methylthiophene-2-carboxylate (PubChem CID 78830752) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methoxyethyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-methylthiophene-2-carboxylate
PubChem CID78830752
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-methoxyethyl 5-methylthiophene-2-carboxylate
SMILESCOCCOC(=O)c1ccc(C)s1
InChIInChI=1S/C9H12O3S/c1-7-3-4-8(13-7)9(10)12-6-5-11-2/h3-4H,5-6H2,1-2H3
InChIKeyMURZIGDBVJJSSA-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502753
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2628097
2-(3-methoxypropylsulfonyl)-1-(5-methylthiophen-2-yl)ethanone
CID 64637339
(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2503022
trifluoromethyl 5-methylthiophene-2-carboxylate
CID 130678716
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
CID 126503353
(3,6-dichloro-2-pyridinyl)methyl 5-methylthiophene-2-carboxylate
CID 51133716
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2335919
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-methylthiophene-2-carboxylate?
The IUPAC name of 2-methoxyethyl 5-methylthiophene-2-carboxylate (CID 78830752) is 2-methoxyethyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-methylthiophene-2-carboxylate is COCCOC(=O)c1ccc(C)s1.
What is the InChIKey of 2-methoxyethyl 5-methylthiophene-2-carboxylate?
The InChIKey is MURZIGDBVJJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-7-3-4-8(13-7)9(10)12-6-5-11-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-methoxyethyl 5-methylthiophene-2-carboxylate?
2-methoxyethyl 5-methylthiophene-2-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 78830752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).