3-bromo-4-methylthiophene

C5H5BrS — CID 2734935

IUPAC3-bromo-4-methylthiophene
SMILESCc1cscc1Br
InChIInChI=1S/C5H5BrS/c1-4-2-7-3-5(4)6/h2-3H,1H3
InChIKeyMBUSOPVRLCFJCS-UHFFFAOYSA-N
MW177.07 g/mol
LogP2.82
Rot. Bonds

About 3-bromo-4-methylthiophene

3-bromo-4-methylthiophene (PubChem CID 2734935) has the molecular formula C5H5BrS and a molecular weight of 177.07 g/mol. Its IUPAC name is 3-bromo-4-methylthiophene.

Molecular Properties

Compound Name3-bromo-4-methylthiophene
PubChem CID2734935
Molecular FormulaC5H5BrS
Molecular Weight177.07 g/mol
Exact Mass175.93
IUPAC Name3-bromo-4-methylthiophene
SMILESCc1cscc1Br
InChIInChI=1S/C5H5BrS/c1-4-2-7-3-5(4)6/h2-3H,1H3
InChIKeyMBUSOPVRLCFJCS-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylthiophene?
The IUPAC name of 3-bromo-4-methylthiophene (CID 2734935) is 3-bromo-4-methylthiophene.
What is the SMILES notation for 3-bromo-4-methylthiophene?
The canonical SMILES for 3-bromo-4-methylthiophene is Cc1cscc1Br.
What is the InChIKey of 3-bromo-4-methylthiophene?
The InChIKey is MBUSOPVRLCFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrS/c1-4-2-7-3-5(4)6/h2-3H,1H3.
What are the key properties of 3-bromo-4-methylthiophene?
3-bromo-4-methylthiophene has a molecular weight of 177.07 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylthiophene is sourced from PubChem (CID 2734935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).