2,4-ditert-butylthiophene

C12H20S — CID 602490

IUPAC2,4-ditert-butylthiophene
SMILESCC(C)(C)c1csc(C(C)(C)C)c1
InChIInChI=1S/C12H20S/c1-11(2,3)9-7-10(13-8-9)12(4,5)6/h7-8H,1-6H3
InChIKeyUAEOZSDBIPKLPV-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.34
Rot. Bonds

About 2,4-ditert-butylthiophene

2,4-ditert-butylthiophene (PubChem CID 602490) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2,4-ditert-butylthiophene.

Molecular Properties

Compound Name2,4-ditert-butylthiophene
PubChem CID602490
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2,4-ditert-butylthiophene
SMILESCC(C)(C)c1csc(C(C)(C)C)c1
InChIInChI=1S/C12H20S/c1-11(2,3)9-7-10(13-8-9)12(4,5)6/h7-8H,1-6H3
InChIKeyUAEOZSDBIPKLPV-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butylthiophene?
The IUPAC name of 2,4-ditert-butylthiophene (CID 602490) is 2,4-ditert-butylthiophene.
What is the SMILES notation for 2,4-ditert-butylthiophene?
The canonical SMILES for 2,4-ditert-butylthiophene is CC(C)(C)c1csc(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butylthiophene?
The InChIKey is UAEOZSDBIPKLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-11(2,3)9-7-10(13-8-9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,4-ditert-butylthiophene?
2,4-ditert-butylthiophene has a molecular weight of 196.36 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylthiophene is sourced from PubChem (CID 602490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).