2-methylthiophene 1-oxide

C5H6OS — CID 6187429

IUPAC2-methylthiophene 1-oxide
SMILESCC1=CC=CS1=O
InChIInChI=1S/C5H6OS/c1-5-3-2-4-7(5)6/h2-4H,1H3
InChIKeyXDLZGEOIKKECCA-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.17
Rot. Bonds

About 2-methylthiophene 1-oxide

2-methylthiophene 1-oxide (PubChem CID 6187429) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 2-methylthiophene 1-oxide.

Molecular Properties

Compound Name2-methylthiophene 1-oxide
PubChem CID6187429
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name2-methylthiophene 1-oxide
SMILESCC1=CC=CS1=O
InChIInChI=1S/C5H6OS/c1-5-3-2-4-7(5)6/h2-4H,1H3
InChIKeyXDLZGEOIKKECCA-UHFFFAOYSA-N
XLogP1.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene 1-oxide?
The IUPAC name of 2-methylthiophene 1-oxide (CID 6187429) is 2-methylthiophene 1-oxide.
What is the SMILES notation for 2-methylthiophene 1-oxide?
The canonical SMILES for 2-methylthiophene 1-oxide is CC1=CC=CS1=O.
What is the InChIKey of 2-methylthiophene 1-oxide?
The InChIKey is XDLZGEOIKKECCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c1-5-3-2-4-7(5)6/h2-4H,1H3.
What are the key properties of 2-methylthiophene 1-oxide?
2-methylthiophene 1-oxide has a molecular weight of 114.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophene 1-oxide is sourced from PubChem (CID 6187429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).