2,2,4,5-tetramethyl-3H-thiophene

C8H14S — CID 18339217

IUPAC2,2,4,5-tetramethyl-3H-thiophene
SMILESCC1=C(C)SC(C)(C)C1
InChIInChI=1S/C8H14S/c1-6-5-8(3,4)9-7(6)2/h5H2,1-4H3
InChIKeyKFACRSWYWZSJCZ-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds

About 2,2,4,5-tetramethyl-3H-thiophene

2,2,4,5-tetramethyl-3H-thiophene (PubChem CID 18339217) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2,2,4,5-tetramethyl-3H-thiophene.

Molecular Properties

Compound Name2,2,4,5-tetramethyl-3H-thiophene
PubChem CID18339217
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2,2,4,5-tetramethyl-3H-thiophene
SMILESCC1=C(C)SC(C)(C)C1
InChIInChI=1S/C8H14S/c1-6-5-8(3,4)9-7(6)2/h5H2,1-4H3
InChIKeyKFACRSWYWZSJCZ-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethyl-3H-thiophene?
The IUPAC name of 2,2,4,5-tetramethyl-3H-thiophene (CID 18339217) is 2,2,4,5-tetramethyl-3H-thiophene.
What is the SMILES notation for 2,2,4,5-tetramethyl-3H-thiophene?
The canonical SMILES for 2,2,4,5-tetramethyl-3H-thiophene is CC1=C(C)SC(C)(C)C1.
What is the InChIKey of 2,2,4,5-tetramethyl-3H-thiophene?
The InChIKey is KFACRSWYWZSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6-5-8(3,4)9-7(6)2/h5H2,1-4H3.
What are the key properties of 2,2,4,5-tetramethyl-3H-thiophene?
2,2,4,5-tetramethyl-3H-thiophene has a molecular weight of 142.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethyl-3H-thiophene is sourced from PubChem (CID 18339217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).