4-(2-methylpropoxy)-2-thiophen-2-ylthiophene

C12H14OS2 — CID 150125475

IUPAC4-(2-methylpropoxy)-2-thiophen-2-ylthiophene
SMILESCC(C)COc1csc(-c2cccs2)c1
InChIInChI=1S/C12H14OS2/c1-9(2)7-13-10-6-12(15-8-10)11-4-3-5-14-11/h3-6,8-9H,7H2,1-2H3
InChIKeyFADCGLGMAJKUSG-UHFFFAOYSA-N
MW238.38 g/mol
LogP4.51
Rot. Bonds4

About 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene

4-(2-methylpropoxy)-2-thiophen-2-ylthiophene (PubChem CID 150125475) has the molecular formula C12H14OS2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name4-(2-methylpropoxy)-2-thiophen-2-ylthiophene
PubChem CID150125475
Molecular FormulaC12H14OS2
Molecular Weight238.38 g/mol
Exact Mass238.05
IUPAC Name4-(2-methylpropoxy)-2-thiophen-2-ylthiophene
SMILESCC(C)COc1csc(-c2cccs2)c1
InChIInChI=1S/C12H14OS2/c1-9(2)7-13-10-6-12(15-8-10)11-4-3-5-14-11/h3-6,8-9H,7H2,1-2H3
InChIKeyFADCGLGMAJKUSG-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene?
The IUPAC name of 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene (CID 150125475) is 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene.
What is the SMILES notation for 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene?
The canonical SMILES for 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene is CC(C)COc1csc(-c2cccs2)c1.
What is the InChIKey of 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene?
The InChIKey is FADCGLGMAJKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS2/c1-9(2)7-13-10-6-12(15-8-10)11-4-3-5-14-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene?
4-(2-methylpropoxy)-2-thiophen-2-ylthiophene has a molecular weight of 238.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-2-thiophen-2-ylthiophene is sourced from PubChem (CID 150125475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).