ethyl 3-methoxy-4-methylthiophene-2-carboxylate

C9H12O3S — CID 70658420

IUPACethyl 3-methoxy-4-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1scc(C)c1OC
InChIInChI=1S/C9H12O3S/c1-4-12-9(10)8-7(11-3)6(2)5-13-8/h5H,4H2,1-3H3
InChIKeyKZTSUUCWGPOQTK-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.24
Rot. Bonds3

About ethyl 3-methoxy-4-methylthiophene-2-carboxylate

ethyl 3-methoxy-4-methylthiophene-2-carboxylate (PubChem CID 70658420) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 3-methoxy-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-4-methylthiophene-2-carboxylate
PubChem CID70658420
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Nameethyl 3-methoxy-4-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1scc(C)c1OC
InChIInChI=1S/C9H12O3S/c1-4-12-9(10)8-7(11-3)6(2)5-13-8/h5H,4H2,1-3H3
InChIKeyKZTSUUCWGPOQTK-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-iodo-4-methylthiophene-2-carboxylate
CID 131132175
ethyl 3-[(3R)-3,4-dihydroxybutyl]-4-methylthiophene-2-carboxylate
CID 67661246
ethyl 3-methyl-4-nitrothiophene-2-carboxylate
CID 126513012
diethyl 4-(4-methoxybenzoyl)thiophene-2,3-dicarboxylate
CID 54753916
ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
CID 18434656
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
CID 18434703
propanoyl 3-amino-4-methylthiophene-2-carboxylate
CID 175393544
ethyl 4-methoxy-5-methylpyridine-3-carboxylate
CID 133096766
ethyl 4-methyl-1,2-thiazole-5-carboxylate
CID 154075441
ethyl 3,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate
CID 71335436
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-4-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-methoxy-4-methylthiophene-2-carboxylate (CID 70658420) is ethyl 3-methoxy-4-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-4-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methoxy-4-methylthiophene-2-carboxylate is CCOC(=O)c1scc(C)c1OC.
What is the InChIKey of ethyl 3-methoxy-4-methylthiophene-2-carboxylate?
The InChIKey is KZTSUUCWGPOQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-4-12-9(10)8-7(11-3)6(2)5-13-8/h5H,4H2,1-3H3.
What are the key properties of ethyl 3-methoxy-4-methylthiophene-2-carboxylate?
ethyl 3-methoxy-4-methylthiophene-2-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 70658420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).