2,2,3,3,5-pentamethylthiophene

C9H16S — CID 90254198

IUPAC2,2,3,3,5-pentamethylthiophene
SMILESCC1=CC(C)(C)C(C)(C)S1
InChIInChI=1S/C9H16S/c1-7-6-8(2,3)9(4,5)10-7/h6H,1-5H3
InChIKeyKYUXCDMQLJZULI-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds

About 2,2,3,3,5-pentamethylthiophene

2,2,3,3,5-pentamethylthiophene (PubChem CID 90254198) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2,2,3,3,5-pentamethylthiophene.

Molecular Properties

Compound Name2,2,3,3,5-pentamethylthiophene
PubChem CID90254198
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2,2,3,3,5-pentamethylthiophene
SMILESCC1=CC(C)(C)C(C)(C)S1
InChIInChI=1S/C9H16S/c1-7-6-8(2,3)9(4,5)10-7/h6H,1-5H3
InChIKeyKYUXCDMQLJZULI-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentamethylthiophene?
The IUPAC name of 2,2,3,3,5-pentamethylthiophene (CID 90254198) is 2,2,3,3,5-pentamethylthiophene.
What is the SMILES notation for 2,2,3,3,5-pentamethylthiophene?
The canonical SMILES for 2,2,3,3,5-pentamethylthiophene is CC1=CC(C)(C)C(C)(C)S1.
What is the InChIKey of 2,2,3,3,5-pentamethylthiophene?
The InChIKey is KYUXCDMQLJZULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-6-8(2,3)9(4,5)10-7/h6H,1-5H3.
What are the key properties of 2,2,3,3,5-pentamethylthiophene?
2,2,3,3,5-pentamethylthiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentamethylthiophene is sourced from PubChem (CID 90254198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).