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

C10H18S — CID 58150626

IUPAC2,2,3,4,5,5-hexamethylthiophene
SMILESCC1=C(C)C(C)(C)SC1(C)C
InChIInChI=1S/C10H18S/c1-7-8(2)10(5,6)11-9(7,3)4/h1-6H3
InChIKeyDJIFECRWYSGKJS-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.63
Rot. Bonds

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

2,2,3,4,5,5-hexamethylthiophene (PubChem CID 58150626) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexamethylthiophene.

Molecular Properties

Compound Name2,2,3,4,5,5-hexamethylthiophene
PubChem CID58150626
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,2,3,4,5,5-hexamethylthiophene
SMILESCC1=C(C)C(C)(C)SC1(C)C
InChIInChI=1S/C10H18S/c1-7-8(2)10(5,6)11-9(7,3)4/h1-6H3
InChIKeyDJIFECRWYSGKJS-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5-hexamethylthiophene?
The IUPAC name of 2,2,3,4,5,5-hexamethylthiophene (CID 58150626) is 2,2,3,4,5,5-hexamethylthiophene.
What is the SMILES notation for 2,2,3,4,5,5-hexamethylthiophene?
The canonical SMILES for 2,2,3,4,5,5-hexamethylthiophene is CC1=C(C)C(C)(C)SC1(C)C.
What is the InChIKey of 2,2,3,4,5,5-hexamethylthiophene?
The InChIKey is DJIFECRWYSGKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7-8(2)10(5,6)11-9(7,3)4/h1-6H3.
What are the key properties of 2,2,3,4,5,5-hexamethylthiophene?
2,2,3,4,5,5-hexamethylthiophene has a molecular weight of 170.32 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexamethylthiophene is sourced from PubChem (CID 58150626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).