2-methylthiophene

C5H6S — CID 11126

IUPAC2-methylthiophene
SMILESCc1cccs1
InChIInChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKeyXQQBUAPQHNYYRS-UHFFFAOYSA-N
MW98.17 g/mol
LogP2.06
Rot. Bonds

About 2-methylthiophene

2-methylthiophene (PubChem CID 11126) has the molecular formula C5H6S and a molecular weight of 98.17 g/mol. Its IUPAC name is 2-methylthiophene.

Molecular Properties

Compound Name2-methylthiophene
PubChem CID11126
Molecular FormulaC5H6S
Molecular Weight98.17 g/mol
Exact Mass98.02
IUPAC Name2-methylthiophene
SMILESCc1cccs1
InChIInChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKeyXQQBUAPQHNYYRS-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene?
The IUPAC name of 2-methylthiophene (CID 11126) is 2-methylthiophene.
What is the SMILES notation for 2-methylthiophene?
The canonical SMILES for 2-methylthiophene is Cc1cccs1.
What is the InChIKey of 2-methylthiophene?
The InChIKey is XQQBUAPQHNYYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3.
What are the key properties of 2-methylthiophene?
2-methylthiophene has a molecular weight of 98.17 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophene is sourced from PubChem (CID 11126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).