2,3-dibromo-5-methylthiophene

C5H4Br2S — CID 14835170

IUPAC2,3-dibromo-5-methylthiophene
SMILESCc1cc(Br)c(Br)s1
InChIInChI=1S/C5H4Br2S/c1-3-2-4(6)5(7)8-3/h2H,1H3
InChIKeyJPGQPXUPQMBWRW-UHFFFAOYSA-N
MW255.96 g/mol
LogP3.58
Rot. Bonds

About 2,3-dibromo-5-methylthiophene

2,3-dibromo-5-methylthiophene (PubChem CID 14835170) has the molecular formula C5H4Br2S and a molecular weight of 255.96 g/mol. Its IUPAC name is 2,3-dibromo-5-methylthiophene.

Molecular Properties

Compound Name2,3-dibromo-5-methylthiophene
PubChem CID14835170
Molecular FormulaC5H4Br2S
Molecular Weight255.96 g/mol
Exact Mass253.84
IUPAC Name2,3-dibromo-5-methylthiophene
SMILESCc1cc(Br)c(Br)s1
InChIInChI=1S/C5H4Br2S/c1-3-2-4(6)5(7)8-3/h2H,1H3
InChIKeyJPGQPXUPQMBWRW-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 2,3-dibromo-5-methylthiophene?
The IUPAC name of 2,3-dibromo-5-methylthiophene (CID 14835170) is 2,3-dibromo-5-methylthiophene.
What is the SMILES notation for 2,3-dibromo-5-methylthiophene?
The canonical SMILES for 2,3-dibromo-5-methylthiophene is Cc1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-methylthiophene?
The InChIKey is JPGQPXUPQMBWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2S/c1-3-2-4(6)5(7)8-3/h2H,1H3.
What are the key properties of 2,3-dibromo-5-methylthiophene?
2,3-dibromo-5-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 2,3-dibromo-5-methylthiophene is sourced from PubChem (CID 14835170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).