3-bromo-4-(4-methylphenyl)thiophene

C11H9BrS — CID 19789709

IUPAC3-bromo-4-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cscc2Br)cc1
InChIInChI=1S/C11H9BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h2-7H,1H3
InChIKeyIIURKSVGXRMKON-UHFFFAOYSA-N
MW253.16 g/mol
LogP4.49
Rot. Bonds1

About 3-bromo-4-(4-methylphenyl)thiophene

3-bromo-4-(4-methylphenyl)thiophene (PubChem CID 19789709) has the molecular formula C11H9BrS and a molecular weight of 253.16 g/mol. Its IUPAC name is 3-bromo-4-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(4-methylphenyl)thiophene
PubChem CID19789709
Molecular FormulaC11H9BrS
Molecular Weight253.16 g/mol
Exact Mass251.96
IUPAC Name3-bromo-4-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cscc2Br)cc1
InChIInChI=1S/C11H9BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h2-7H,1H3
InChIKeyIIURKSVGXRMKON-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methylphenyl)thiophene?
The IUPAC name of 3-bromo-4-(4-methylphenyl)thiophene (CID 19789709) is 3-bromo-4-(4-methylphenyl)thiophene.
What is the SMILES notation for 3-bromo-4-(4-methylphenyl)thiophene?
The canonical SMILES for 3-bromo-4-(4-methylphenyl)thiophene is Cc1ccc(-c2cscc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-methylphenyl)thiophene?
The InChIKey is IIURKSVGXRMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h2-7H,1H3.
What are the key properties of 3-bromo-4-(4-methylphenyl)thiophene?
3-bromo-4-(4-methylphenyl)thiophene has a molecular weight of 253.16 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methylphenyl)thiophene is sourced from PubChem (CID 19789709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).