3-bromo-4-methoxy-2-methylthiophene

C6H7BrOS — CID 18769975

IUPAC3-bromo-4-methoxy-2-methylthiophene
SMILESCOc1csc(C)c1Br
InChIInChI=1S/C6H7BrOS/c1-4-6(7)5(8-2)3-9-4/h3H,1-2H3
InChIKeySGNDEZFRTZRYEB-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.83
Rot. Bonds1

About 3-bromo-4-methoxy-2-methylthiophene

3-bromo-4-methoxy-2-methylthiophene (PubChem CID 18769975) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-4-methoxy-2-methylthiophene
PubChem CID18769975
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name3-bromo-4-methoxy-2-methylthiophene
SMILESCOc1csc(C)c1Br
InChIInChI=1S/C6H7BrOS/c1-4-6(7)5(8-2)3-9-4/h3H,1-2H3
InChIKeySGNDEZFRTZRYEB-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-2-methylthiophene?
The IUPAC name of 3-bromo-4-methoxy-2-methylthiophene (CID 18769975) is 3-bromo-4-methoxy-2-methylthiophene.
What is the SMILES notation for 3-bromo-4-methoxy-2-methylthiophene?
The canonical SMILES for 3-bromo-4-methoxy-2-methylthiophene is COc1csc(C)c1Br.
What is the InChIKey of 3-bromo-4-methoxy-2-methylthiophene?
The InChIKey is SGNDEZFRTZRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c1-4-6(7)5(8-2)3-9-4/h3H,1-2H3.
What are the key properties of 3-bromo-4-methoxy-2-methylthiophene?
3-bromo-4-methoxy-2-methylthiophene has a molecular weight of 207.09 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-2-methylthiophene is sourced from PubChem (CID 18769975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).