2-methyl-5-thiophen-2-ylthiophene

C9H8S2 — CID 11041328

IUPAC2-methyl-5-thiophen-2-ylthiophene
SMILESCc1ccc(-c2cccs2)s1
InChIInChI=1S/C9H8S2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-6H,1H3
InChIKeyJFMOEAUCEDWSLO-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.79
Rot. Bonds1

About 2-methyl-5-thiophen-2-ylthiophene

2-methyl-5-thiophen-2-ylthiophene (PubChem CID 11041328) has the molecular formula C9H8S2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-ylthiophene
PubChem CID11041328
Molecular FormulaC9H8S2
Molecular Weight180.30 g/mol
Exact Mass180.01
IUPAC Name2-methyl-5-thiophen-2-ylthiophene
SMILESCc1ccc(-c2cccs2)s1
InChIInChI=1S/C9H8S2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-6H,1H3
InChIKeyJFMOEAUCEDWSLO-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-ylthiophene?
The IUPAC name of 2-methyl-5-thiophen-2-ylthiophene (CID 11041328) is 2-methyl-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-methyl-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-methyl-5-thiophen-2-ylthiophene is Cc1ccc(-c2cccs2)s1.
What is the InChIKey of 2-methyl-5-thiophen-2-ylthiophene?
The InChIKey is JFMOEAUCEDWSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-6H,1H3.
What are the key properties of 2-methyl-5-thiophen-2-ylthiophene?
2-methyl-5-thiophen-2-ylthiophene has a molecular weight of 180.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-ylthiophene is sourced from PubChem (CID 11041328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).