2,5-bis(4-methylphenyl)thiophene

C18H16S — CID 13029327

IUPAC2,5-bis(4-methylphenyl)thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C18H16S/c1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeySHSGWTGEPZLVBB-UHFFFAOYSA-N
MW264.39 g/mol
LogP5.70
Rot. Bonds2

About 2,5-bis(4-methylphenyl)thiophene

2,5-bis(4-methylphenyl)thiophene (PubChem CID 13029327) has the molecular formula C18H16S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)thiophene
PubChem CID13029327
Molecular FormulaC18H16S
Molecular Weight264.39 g/mol
Exact Mass264.10
IUPAC Name2,5-bis(4-methylphenyl)thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C18H16S/c1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeySHSGWTGEPZLVBB-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)thiophene?
The IUPAC name of 2,5-bis(4-methylphenyl)thiophene (CID 13029327) is 2,5-bis(4-methylphenyl)thiophene.
What is the SMILES notation for 2,5-bis(4-methylphenyl)thiophene?
The canonical SMILES for 2,5-bis(4-methylphenyl)thiophene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1.
What is the InChIKey of 2,5-bis(4-methylphenyl)thiophene?
The InChIKey is SHSGWTGEPZLVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16S/c1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 2,5-bis(4-methylphenyl)thiophene?
2,5-bis(4-methylphenyl)thiophene has a molecular weight of 264.39 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylphenyl)thiophene is sourced from PubChem (CID 13029327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).