3-bromo-2-(2,2-dibromoethenyl)thiophene

C6H3Br3S — CID 86003937

IUPAC3-bromo-2-(2,2-dibromoethenyl)thiophene
SMILESBrC(Br)=Cc1sccc1Br
InChIInChI=1S/C6H3Br3S/c7-4-1-2-10-5(4)3-6(8)9/h1-3H
InChIKeyQIUIONGNDNZKBH-UHFFFAOYSA-N
MW346.87 g/mol
LogP4.60
Rot. Bonds1

About 3-bromo-2-(2,2-dibromoethenyl)thiophene

3-bromo-2-(2,2-dibromoethenyl)thiophene (PubChem CID 86003937) has the molecular formula C6H3Br3S and a molecular weight of 346.87 g/mol. Its IUPAC name is 3-bromo-2-(2,2-dibromoethenyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(2,2-dibromoethenyl)thiophene
PubChem CID86003937
Molecular FormulaC6H3Br3S
Molecular Weight346.87 g/mol
Exact Mass343.75
IUPAC Name3-bromo-2-(2,2-dibromoethenyl)thiophene
SMILESBrC(Br)=Cc1sccc1Br
InChIInChI=1S/C6H3Br3S/c7-4-1-2-10-5(4)3-6(8)9/h1-3H
InChIKeyQIUIONGNDNZKBH-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,2-dibromoethenyl)thiophene?
The IUPAC name of 3-bromo-2-(2,2-dibromoethenyl)thiophene (CID 86003937) is 3-bromo-2-(2,2-dibromoethenyl)thiophene.
What is the SMILES notation for 3-bromo-2-(2,2-dibromoethenyl)thiophene?
The canonical SMILES for 3-bromo-2-(2,2-dibromoethenyl)thiophene is BrC(Br)=Cc1sccc1Br.
What is the InChIKey of 3-bromo-2-(2,2-dibromoethenyl)thiophene?
The InChIKey is QIUIONGNDNZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3S/c7-4-1-2-10-5(4)3-6(8)9/h1-3H.
What are the key properties of 3-bromo-2-(2,2-dibromoethenyl)thiophene?
3-bromo-2-(2,2-dibromoethenyl)thiophene has a molecular weight of 346.87 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,2-dibromoethenyl)thiophene is sourced from PubChem (CID 86003937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).