ethyl 4,5-dibromothiophene-2-carboxylate

C7H6Br2O2S — CID 15073982

IUPACethyl 4,5-dibromothiophene-2-carboxylate
SMILESCCOC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2O2S/c1-2-11-7(10)5-3-4(8)6(9)12-5/h3H,2H2,1H3
InChIKeyNZQKKQQTXFNEMQ-UHFFFAOYSA-N
MW314.00 g/mol
LogP3.45
Rot. Bonds2

About ethyl 4,5-dibromothiophene-2-carboxylate

ethyl 4,5-dibromothiophene-2-carboxylate (PubChem CID 15073982) has the molecular formula C7H6Br2O2S and a molecular weight of 314.00 g/mol. Its IUPAC name is ethyl 4,5-dibromothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dibromothiophene-2-carboxylate
PubChem CID15073982
Molecular FormulaC7H6Br2O2S
Molecular Weight314.00 g/mol
Exact Mass311.85
IUPAC Nameethyl 4,5-dibromothiophene-2-carboxylate
SMILESCCOC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2O2S/c1-2-11-7(10)5-3-4(8)6(9)12-5/h3H,2H2,1H3
InChIKeyNZQKKQQTXFNEMQ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.00
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4,5-dibromothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dibromothiophene-2-carboxylate?
The IUPAC name of ethyl 4,5-dibromothiophene-2-carboxylate (CID 15073982) is ethyl 4,5-dibromothiophene-2-carboxylate.
What is the SMILES notation for ethyl 4,5-dibromothiophene-2-carboxylate?
The canonical SMILES for ethyl 4,5-dibromothiophene-2-carboxylate is CCOC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of ethyl 4,5-dibromothiophene-2-carboxylate?
The InChIKey is NZQKKQQTXFNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O2S/c1-2-11-7(10)5-3-4(8)6(9)12-5/h3H,2H2,1H3.
What are the key properties of ethyl 4,5-dibromothiophene-2-carboxylate?
ethyl 4,5-dibromothiophene-2-carboxylate has a molecular weight of 314.00 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dibromothiophene-2-carboxylate is sourced from PubChem (CID 15073982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).