2,3-dibromo-4-tert-butylthiophene

C8H10Br2S — CID 129303242

IUPAC2,3-dibromo-4-tert-butylthiophene
SMILESCC(C)(C)c1csc(Br)c1Br
InChIInChI=1S/C8H10Br2S/c1-8(2,3)5-4-11-7(10)6(5)9/h4H,1-3H3
InChIKeyIBHRTAYJRWRKNL-UHFFFAOYSA-N
MW298.04 g/mol
LogP4.57
Rot. Bonds

About 2,3-dibromo-4-tert-butylthiophene

2,3-dibromo-4-tert-butylthiophene (PubChem CID 129303242) has the molecular formula C8H10Br2S and a molecular weight of 298.04 g/mol. Its IUPAC name is 2,3-dibromo-4-tert-butylthiophene.

Molecular Properties

Compound Name2,3-dibromo-4-tert-butylthiophene
PubChem CID129303242
Molecular FormulaC8H10Br2S
Molecular Weight298.04 g/mol
Exact Mass295.89
IUPAC Name2,3-dibromo-4-tert-butylthiophene
SMILESCC(C)(C)c1csc(Br)c1Br
InChIInChI=1S/C8H10Br2S/c1-8(2,3)5-4-11-7(10)6(5)9/h4H,1-3H3
InChIKeyIBHRTAYJRWRKNL-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-tert-butylthiophene?
The IUPAC name of 2,3-dibromo-4-tert-butylthiophene (CID 129303242) is 2,3-dibromo-4-tert-butylthiophene.
What is the SMILES notation for 2,3-dibromo-4-tert-butylthiophene?
The canonical SMILES for 2,3-dibromo-4-tert-butylthiophene is CC(C)(C)c1csc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-4-tert-butylthiophene?
The InChIKey is IBHRTAYJRWRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2S/c1-8(2,3)5-4-11-7(10)6(5)9/h4H,1-3H3.
What are the key properties of 2,3-dibromo-4-tert-butylthiophene?
2,3-dibromo-4-tert-butylthiophene has a molecular weight of 298.04 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-tert-butylthiophene is sourced from PubChem (CID 129303242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).