4-methoxy-2-methylthiophene

C6H8OS — CID 13061860

IUPAC4-methoxy-2-methylthiophene
SMILESCOc1csc(C)c1
InChIInChI=1S/C6H8OS/c1-5-3-6(7-2)4-8-5/h3-4H,1-2H3
InChIKeyICQPBAWSBLMHGD-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.07
Rot. Bonds1

About 4-methoxy-2-methylthiophene

4-methoxy-2-methylthiophene (PubChem CID 13061860) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 4-methoxy-2-methylthiophene.

Molecular Properties

Compound Name4-methoxy-2-methylthiophene
PubChem CID13061860
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name4-methoxy-2-methylthiophene
SMILESCOc1csc(C)c1
InChIInChI=1S/C6H8OS/c1-5-3-6(7-2)4-8-5/h3-4H,1-2H3
InChIKeyICQPBAWSBLMHGD-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylthiophene?
The IUPAC name of 4-methoxy-2-methylthiophene (CID 13061860) is 4-methoxy-2-methylthiophene.
What is the SMILES notation for 4-methoxy-2-methylthiophene?
The canonical SMILES for 4-methoxy-2-methylthiophene is COc1csc(C)c1.
What is the InChIKey of 4-methoxy-2-methylthiophene?
The InChIKey is ICQPBAWSBLMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-5-3-6(7-2)4-8-5/h3-4H,1-2H3.
What are the key properties of 4-methoxy-2-methylthiophene?
4-methoxy-2-methylthiophene has a molecular weight of 128.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylthiophene is sourced from PubChem (CID 13061860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).