3,4-dibromo-2,5-dimethylthiophene

C6H6Br2S — CID 12626348

IUPAC3,4-dibromo-2,5-dimethylthiophene
SMILESCc1sc(C)c(Br)c1Br
InChIInChI=1S/C6H6Br2S/c1-3-5(7)6(8)4(2)9-3/h1-2H3
InChIKeyNWYUIYYDNDZXBK-UHFFFAOYSA-N
MW269.99 g/mol
LogP3.89
Rot. Bonds

About 3,4-dibromo-2,5-dimethylthiophene

3,4-dibromo-2,5-dimethylthiophene (PubChem CID 12626348) has the molecular formula C6H6Br2S and a molecular weight of 269.99 g/mol. Its IUPAC name is 3,4-dibromo-2,5-dimethylthiophene.

Molecular Properties

Compound Name3,4-dibromo-2,5-dimethylthiophene
PubChem CID12626348
Molecular FormulaC6H6Br2S
Molecular Weight269.99 g/mol
Exact Mass267.86
IUPAC Name3,4-dibromo-2,5-dimethylthiophene
SMILESCc1sc(C)c(Br)c1Br
InChIInChI=1S/C6H6Br2S/c1-3-5(7)6(8)4(2)9-3/h1-2H3
InChIKeyNWYUIYYDNDZXBK-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2,5-dimethylthiophene?
The IUPAC name of 3,4-dibromo-2,5-dimethylthiophene (CID 12626348) is 3,4-dibromo-2,5-dimethylthiophene.
What is the SMILES notation for 3,4-dibromo-2,5-dimethylthiophene?
The canonical SMILES for 3,4-dibromo-2,5-dimethylthiophene is Cc1sc(C)c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2,5-dimethylthiophene?
The InChIKey is NWYUIYYDNDZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2S/c1-3-5(7)6(8)4(2)9-3/h1-2H3.
What are the key properties of 3,4-dibromo-2,5-dimethylthiophene?
3,4-dibromo-2,5-dimethylthiophene has a molecular weight of 269.99 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2,5-dimethylthiophene is sourced from PubChem (CID 12626348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).