methyl 3-ethylidenethiophene-2-carboxylate

C8H10O2S — CID 175033360

IUPACmethyl 3-ethylidenethiophene-2-carboxylate
SMILESCC=C1C=CSC1C(=O)OC
InChIInChI=1S/C8H10O2S/c1-3-6-4-5-11-7(6)8(9)10-2/h3-5,7H,1-2H3
InChIKeyOMIUKNPJBZTZKB-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.73
Rot. Bonds1

About methyl 3-ethylidenethiophene-2-carboxylate

methyl 3-ethylidenethiophene-2-carboxylate (PubChem CID 175033360) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is methyl 3-ethylidenethiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethylidenethiophene-2-carboxylate
PubChem CID175033360
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namemethyl 3-ethylidenethiophene-2-carboxylate
SMILESCC=C1C=CSC1C(=O)OC
InChIInChI=1S/C8H10O2S/c1-3-6-4-5-11-7(6)8(9)10-2/h3-5,7H,1-2H3
InChIKeyOMIUKNPJBZTZKB-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylidenethiophene-2-carboxylate?
The IUPAC name of methyl 3-ethylidenethiophene-2-carboxylate (CID 175033360) is methyl 3-ethylidenethiophene-2-carboxylate.
What is the SMILES notation for methyl 3-ethylidenethiophene-2-carboxylate?
The canonical SMILES for methyl 3-ethylidenethiophene-2-carboxylate is CC=C1C=CSC1C(=O)OC.
What is the InChIKey of methyl 3-ethylidenethiophene-2-carboxylate?
The InChIKey is OMIUKNPJBZTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-6-4-5-11-7(6)8(9)10-2/h3-5,7H,1-2H3.
What are the key properties of methyl 3-ethylidenethiophene-2-carboxylate?
methyl 3-ethylidenethiophene-2-carboxylate has a molecular weight of 170.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylidenethiophene-2-carboxylate is sourced from PubChem (CID 175033360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).