3,5-dibromo-2-ethoxythiophene

C6H6Br2OS — CID 11098115

IUPAC3,5-dibromo-2-ethoxythiophene
SMILESCCOc1sc(Br)cc1Br
InChIInChI=1S/C6H6Br2OS/c1-2-9-6-4(7)3-5(8)10-6/h3H,2H2,1H3
InChIKeyTYZCDERNMOBOOJ-UHFFFAOYSA-N
MW285.99 g/mol
LogP3.67
Rot. Bonds2

About 3,5-dibromo-2-ethoxythiophene

3,5-dibromo-2-ethoxythiophene (PubChem CID 11098115) has the molecular formula C6H6Br2OS and a molecular weight of 285.99 g/mol. Its IUPAC name is 3,5-dibromo-2-ethoxythiophene.

Molecular Properties

Compound Name3,5-dibromo-2-ethoxythiophene
PubChem CID11098115
Molecular FormulaC6H6Br2OS
Molecular Weight285.99 g/mol
Exact Mass283.85
IUPAC Name3,5-dibromo-2-ethoxythiophene
SMILESCCOc1sc(Br)cc1Br
InChIInChI=1S/C6H6Br2OS/c1-2-9-6-4(7)3-5(8)10-6/h3H,2H2,1H3
InChIKeyTYZCDERNMOBOOJ-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.99
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-ethoxythiophene?
The IUPAC name of 3,5-dibromo-2-ethoxythiophene (CID 11098115) is 3,5-dibromo-2-ethoxythiophene.
What is the SMILES notation for 3,5-dibromo-2-ethoxythiophene?
The canonical SMILES for 3,5-dibromo-2-ethoxythiophene is CCOc1sc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-ethoxythiophene?
The InChIKey is TYZCDERNMOBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2OS/c1-2-9-6-4(7)3-5(8)10-6/h3H,2H2,1H3.
What are the key properties of 3,5-dibromo-2-ethoxythiophene?
3,5-dibromo-2-ethoxythiophene has a molecular weight of 285.99 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-ethoxythiophene is sourced from PubChem (CID 11098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).