2,3,4,5-tetramethylthiophene

C16H24S2 — CID 162080525

IUPAC2,3,4,5-tetramethylthiophene
SMILESCc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/2C8H12S/c2*1-5-6(2)8(4)9-7(5)3/h2*1-4H3
InChIKeyZCGYIEPUUCAOBS-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.96
Rot. Bonds

About 2,3,4,5-tetramethylthiophene

2,3,4,5-tetramethylthiophene (PubChem CID 162080525) has the molecular formula C16H24S2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,3,4,5-tetramethylthiophene.

Molecular Properties

Compound Name2,3,4,5-tetramethylthiophene
PubChem CID162080525
Molecular FormulaC16H24S2
Molecular Weight280.50 g/mol
Exact Mass280.13
IUPAC Name2,3,4,5-tetramethylthiophene
SMILESCc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/2C8H12S/c2*1-5-6(2)8(4)9-7(5)3/h2*1-4H3
InChIKeyZCGYIEPUUCAOBS-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylthiophene?
The IUPAC name of 2,3,4,5-tetramethylthiophene (CID 162080525) is 2,3,4,5-tetramethylthiophene.
What is the SMILES notation for 2,3,4,5-tetramethylthiophene?
The canonical SMILES for 2,3,4,5-tetramethylthiophene is Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetramethylthiophene?
The InChIKey is ZCGYIEPUUCAOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12S/c2*1-5-6(2)8(4)9-7(5)3/h2*1-4H3.
What are the key properties of 2,3,4,5-tetramethylthiophene?
2,3,4,5-tetramethylthiophene has a molecular weight of 280.50 g/mol, XLogP of 5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylthiophene is sourced from PubChem (CID 162080525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).