4-bromo-2-tert-butylthiophene

C8H11BrS — CID 20594406

IUPAC4-bromo-2-tert-butylthiophene
SMILESCC(C)(C)c1cc(Br)cs1
InChIInChI=1S/C8H11BrS/c1-8(2,3)7-4-6(9)5-10-7/h4-5H,1-3H3
InChIKeyBYTGWOWADMPXNA-UHFFFAOYSA-N
MW219.15 g/mol
LogP3.81
Rot. Bonds

About 4-bromo-2-tert-butylthiophene

4-bromo-2-tert-butylthiophene (PubChem CID 20594406) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 4-bromo-2-tert-butylthiophene.

Molecular Properties

Compound Name4-bromo-2-tert-butylthiophene
PubChem CID20594406
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name4-bromo-2-tert-butylthiophene
SMILESCC(C)(C)c1cc(Br)cs1
InChIInChI=1S/C8H11BrS/c1-8(2,3)7-4-6(9)5-10-7/h4-5H,1-3H3
InChIKeyBYTGWOWADMPXNA-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butylthiophene?
The IUPAC name of 4-bromo-2-tert-butylthiophene (CID 20594406) is 4-bromo-2-tert-butylthiophene.
What is the SMILES notation for 4-bromo-2-tert-butylthiophene?
The canonical SMILES for 4-bromo-2-tert-butylthiophene is CC(C)(C)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-tert-butylthiophene?
The InChIKey is BYTGWOWADMPXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS/c1-8(2,3)7-4-6(9)5-10-7/h4-5H,1-3H3.
What are the key properties of 4-bromo-2-tert-butylthiophene?
4-bromo-2-tert-butylthiophene has a molecular weight of 219.15 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butylthiophene is sourced from PubChem (CID 20594406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).