ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate

C9H7BrO2S2 — CID 133055284

IUPACethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)sc2s1
InChIInChI=1S/C9H7BrO2S2/c1-2-12-8(11)6-3-5-4-7(10)14-9(5)13-6/h3-4H,2H2,1H3
InChIKeyWPPATKQEMSAUSI-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.90
Rot. Bonds2

About ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate

ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate (PubChem CID 133055284) has the molecular formula C9H7BrO2S2 and a molecular weight of 291.19 g/mol. Its IUPAC name is ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
PubChem CID133055284
Molecular FormulaC9H7BrO2S2
Molecular Weight291.19 g/mol
Exact Mass289.91
IUPAC Nameethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)sc2s1
InChIInChI=1S/C9H7BrO2S2/c1-2-12-8(11)6-3-5-4-7(10)14-9(5)13-6/h3-4H,2H2,1H3
InChIKeyWPPATKQEMSAUSI-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate (CID 133055284) is ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate is CCOC(=O)c1cc2cc(Br)sc2s1.
What is the InChIKey of ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate?
The InChIKey is WPPATKQEMSAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S2/c1-2-12-8(11)6-3-5-4-7(10)14-9(5)13-6/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate?
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate has a molecular weight of 291.19 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate is sourced from PubChem (CID 133055284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).