4-bromo-3-methyl-2-propan-2-ylthiophene

C8H11BrS — CID 58718162

IUPAC4-bromo-3-methyl-2-propan-2-ylthiophene
SMILESCc1c(Br)csc1C(C)C
InChIInChI=1S/C8H11BrS/c1-5(2)8-6(3)7(9)4-10-8/h4-5H,1-3H3
InChIKeyXMZITJRLSJESAU-UHFFFAOYSA-N
MW219.15 g/mol
LogP3.94
Rot. Bonds1

About 4-bromo-3-methyl-2-propan-2-ylthiophene

4-bromo-3-methyl-2-propan-2-ylthiophene (PubChem CID 58718162) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 4-bromo-3-methyl-2-propan-2-ylthiophene.

Molecular Properties

Compound Name4-bromo-3-methyl-2-propan-2-ylthiophene
PubChem CID58718162
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name4-bromo-3-methyl-2-propan-2-ylthiophene
SMILESCc1c(Br)csc1C(C)C
InChIInChI=1S/C8H11BrS/c1-5(2)8-6(3)7(9)4-10-8/h4-5H,1-3H3
InChIKeyXMZITJRLSJESAU-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-2-propan-2-ylthiophene?
The IUPAC name of 4-bromo-3-methyl-2-propan-2-ylthiophene (CID 58718162) is 4-bromo-3-methyl-2-propan-2-ylthiophene.
What is the SMILES notation for 4-bromo-3-methyl-2-propan-2-ylthiophene?
The canonical SMILES for 4-bromo-3-methyl-2-propan-2-ylthiophene is Cc1c(Br)csc1C(C)C.
What is the InChIKey of 4-bromo-3-methyl-2-propan-2-ylthiophene?
The InChIKey is XMZITJRLSJESAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS/c1-5(2)8-6(3)7(9)4-10-8/h4-5H,1-3H3.
What are the key properties of 4-bromo-3-methyl-2-propan-2-ylthiophene?
4-bromo-3-methyl-2-propan-2-ylthiophene has a molecular weight of 219.15 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-2-propan-2-ylthiophene is sourced from PubChem (CID 58718162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).