2,5-dimethylthiophene

C6H8S — CID 12514

IUPAC2,5-dimethylthiophene
SMILESCc1ccc(C)s1
InChIInChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKeyGWQOOADXMVQEFT-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.36
Rot. Bonds

About 2,5-dimethylthiophene

2,5-dimethylthiophene (PubChem CID 12514) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 2,5-dimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylthiophene
PubChem CID12514
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name2,5-dimethylthiophene
SMILESCc1ccc(C)s1
InChIInChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKeyGWQOOADXMVQEFT-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthiophene?
The IUPAC name of 2,5-dimethylthiophene (CID 12514) is 2,5-dimethylthiophene.
What is the SMILES notation for 2,5-dimethylthiophene?
The canonical SMILES for 2,5-dimethylthiophene is Cc1ccc(C)s1.
What is the InChIKey of 2,5-dimethylthiophene?
The InChIKey is GWQOOADXMVQEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3.
What are the key properties of 2,5-dimethylthiophene?
2,5-dimethylthiophene has a molecular weight of 112.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthiophene is sourced from PubChem (CID 12514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).