3,5-dibromo-2-methoxythiophene

C5H4Br2OS — CID 11777988

IUPAC3,5-dibromo-2-methoxythiophene
SMILESCOc1sc(Br)cc1Br
InChIInChI=1S/C5H4Br2OS/c1-8-5-3(6)2-4(7)9-5/h2H,1H3
InChIKeyKTDZANRJHGBJFS-UHFFFAOYSA-N
MW271.96 g/mol
LogP3.28
Rot. Bonds1

About 3,5-dibromo-2-methoxythiophene

3,5-dibromo-2-methoxythiophene (PubChem CID 11777988) has the molecular formula C5H4Br2OS and a molecular weight of 271.96 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxythiophene.

Molecular Properties

Compound Name3,5-dibromo-2-methoxythiophene
PubChem CID11777988
Molecular FormulaC5H4Br2OS
Molecular Weight271.96 g/mol
Exact Mass269.83
IUPAC Name3,5-dibromo-2-methoxythiophene
SMILESCOc1sc(Br)cc1Br
InChIInChI=1S/C5H4Br2OS/c1-8-5-3(6)2-4(7)9-5/h2H,1H3
InChIKeyKTDZANRJHGBJFS-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 53.28
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-methoxythiophene?
The IUPAC name of 3,5-dibromo-2-methoxythiophene (CID 11777988) is 3,5-dibromo-2-methoxythiophene.
What is the SMILES notation for 3,5-dibromo-2-methoxythiophene?
The canonical SMILES for 3,5-dibromo-2-methoxythiophene is COc1sc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-methoxythiophene?
The InChIKey is KTDZANRJHGBJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2OS/c1-8-5-3(6)2-4(7)9-5/h2H,1H3.
What are the key properties of 3,5-dibromo-2-methoxythiophene?
3,5-dibromo-2-methoxythiophene has a molecular weight of 271.96 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methoxythiophene is sourced from PubChem (CID 11777988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).