2,4-dibromo-3-methylthiophene

C5H4Br2S — CID 14835168

IUPAC2,4-dibromo-3-methylthiophene
SMILESCc1c(Br)csc1Br
InChIInChI=1S/C5H4Br2S/c1-3-4(6)2-8-5(3)7/h2H,1H3
InChIKeyXLFOWVGHYFPKMU-UHFFFAOYSA-N
MW255.96 g/mol
LogP3.58
Rot. Bonds

About 2,4-dibromo-3-methylthiophene

2,4-dibromo-3-methylthiophene (PubChem CID 14835168) has the molecular formula C5H4Br2S and a molecular weight of 255.96 g/mol. Its IUPAC name is 2,4-dibromo-3-methylthiophene.

Molecular Properties

Compound Name2,4-dibromo-3-methylthiophene
PubChem CID14835168
Molecular FormulaC5H4Br2S
Molecular Weight255.96 g/mol
Exact Mass253.84
IUPAC Name2,4-dibromo-3-methylthiophene
SMILESCc1c(Br)csc1Br
InChIInChI=1S/C5H4Br2S/c1-3-4(6)2-8-5(3)7/h2H,1H3
InChIKeyXLFOWVGHYFPKMU-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-methylthiophene?
The IUPAC name of 2,4-dibromo-3-methylthiophene (CID 14835168) is 2,4-dibromo-3-methylthiophene.
What is the SMILES notation for 2,4-dibromo-3-methylthiophene?
The canonical SMILES for 2,4-dibromo-3-methylthiophene is Cc1c(Br)csc1Br.
What is the InChIKey of 2,4-dibromo-3-methylthiophene?
The InChIKey is XLFOWVGHYFPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2S/c1-3-4(6)2-8-5(3)7/h2H,1H3.
What are the key properties of 2,4-dibromo-3-methylthiophene?
2,4-dibromo-3-methylthiophene has a molecular weight of 255.96 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-methylthiophene is sourced from PubChem (CID 14835168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).