2,2,3,3,4,5-hexamethylthiophene

C10H18S — CID 90076787

IUPAC2,2,3,3,4,5-hexamethylthiophene
SMILESCC1=C(C)C(C)(C)C(C)(C)S1
InChIInChI=1S/C10H18S/c1-7-8(2)11-10(5,6)9(7,3)4/h1-6H3
InChIKeyQTHAFYGDKHXDDQ-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds

About 2,2,3,3,4,5-hexamethylthiophene

2,2,3,3,4,5-hexamethylthiophene (PubChem CID 90076787) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,2,3,3,4,5-hexamethylthiophene.

Molecular Properties

Compound Name2,2,3,3,4,5-hexamethylthiophene
PubChem CID90076787
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,2,3,3,4,5-hexamethylthiophene
SMILESCC1=C(C)C(C)(C)C(C)(C)S1
InChIInChI=1S/C10H18S/c1-7-8(2)11-10(5,6)9(7,3)4/h1-6H3
InChIKeyQTHAFYGDKHXDDQ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,3,4,5-hexamethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5-hexamethylthiophene?
The IUPAC name of 2,2,3,3,4,5-hexamethylthiophene (CID 90076787) is 2,2,3,3,4,5-hexamethylthiophene.
What is the SMILES notation for 2,2,3,3,4,5-hexamethylthiophene?
The canonical SMILES for 2,2,3,3,4,5-hexamethylthiophene is CC1=C(C)C(C)(C)C(C)(C)S1.
What is the InChIKey of 2,2,3,3,4,5-hexamethylthiophene?
The InChIKey is QTHAFYGDKHXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7-8(2)11-10(5,6)9(7,3)4/h1-6H3.
What are the key properties of 2,2,3,3,4,5-hexamethylthiophene?
2,2,3,3,4,5-hexamethylthiophene has a molecular weight of 170.32 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5-hexamethylthiophene is sourced from PubChem (CID 90076787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).