2,5-bis(4-methylthiophen-2-yl)thiophene

C14H12S3 — CID 11097816

IUPAC2,5-bis(4-methylthiophen-2-yl)thiophene
SMILESCc1csc(-c2ccc(-c3cc(C)cs3)s2)c1
InChIInChI=1S/C14H12S3/c1-9-5-13(15-7-9)11-3-4-12(17-11)14-6-10(2)8-16-14/h3-8H,1-2H3
InChIKeyONCOJFXNIHMOBX-UHFFFAOYSA-N
MW276.45 g/mol
LogP5.82
Rot. Bonds2

About 2,5-bis(4-methylthiophen-2-yl)thiophene

2,5-bis(4-methylthiophen-2-yl)thiophene (PubChem CID 11097816) has the molecular formula C14H12S3 and a molecular weight of 276.45 g/mol. Its IUPAC name is 2,5-bis(4-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-methylthiophen-2-yl)thiophene
PubChem CID11097816
Molecular FormulaC14H12S3
Molecular Weight276.45 g/mol
Exact Mass276.01
IUPAC Name2,5-bis(4-methylthiophen-2-yl)thiophene
SMILESCc1csc(-c2ccc(-c3cc(C)cs3)s2)c1
InChIInChI=1S/C14H12S3/c1-9-5-13(15-7-9)11-3-4-12(17-11)14-6-10(2)8-16-14/h3-8H,1-2H3
InChIKeyONCOJFXNIHMOBX-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylthiophen-2-yl)thiophene?
The IUPAC name of 2,5-bis(4-methylthiophen-2-yl)thiophene (CID 11097816) is 2,5-bis(4-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,5-bis(4-methylthiophen-2-yl)thiophene?
The canonical SMILES for 2,5-bis(4-methylthiophen-2-yl)thiophene is Cc1csc(-c2ccc(-c3cc(C)cs3)s2)c1.
What is the InChIKey of 2,5-bis(4-methylthiophen-2-yl)thiophene?
The InChIKey is ONCOJFXNIHMOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S3/c1-9-5-13(15-7-9)11-3-4-12(17-11)14-6-10(2)8-16-14/h3-8H,1-2H3.
What are the key properties of 2,5-bis(4-methylthiophen-2-yl)thiophene?
2,5-bis(4-methylthiophen-2-yl)thiophene has a molecular weight of 276.45 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 11097816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).