6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene

C22H28S2 — CID 155308114

IUPAC6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene
SMILESCc1cc2sc(C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2s1
InChIInChI=1S/C22H28S2/c1-13-11-18-20(23-13)19(14(2)24-18)16-10-9-15(21(3,4)5)12-17(16)22(6,7)8/h9-12H,1-8H3
InChIKeyHSGXYKZVFWGPOB-UHFFFAOYSA-N
MW356.60 g/mol
LogP7.84
Rot. Bonds1

About 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene

6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene (PubChem CID 155308114) has the molecular formula C22H28S2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene
PubChem CID155308114
Molecular FormulaC22H28S2
Molecular Weight356.60 g/mol
Exact Mass356.16
IUPAC Name6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene
SMILESCc1cc2sc(C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2s1
InChIInChI=1S/C22H28S2/c1-13-11-18-20(23-13)19(14(2)24-18)16-10-9-15(21(3,4)5)12-17(16)22(6,7)8/h9-12H,1-8H3
InChIKeyHSGXYKZVFWGPOB-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene?
The IUPAC name of 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene (CID 155308114) is 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene.
What is the SMILES notation for 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene?
The canonical SMILES for 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene is Cc1cc2sc(C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2s1.
What is the InChIKey of 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene?
The InChIKey is HSGXYKZVFWGPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28S2/c1-13-11-18-20(23-13)19(14(2)24-18)16-10-9-15(21(3,4)5)12-17(16)22(6,7)8/h9-12H,1-8H3.
What are the key properties of 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene?
6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene has a molecular weight of 356.60 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-ditert-butylphenyl)-2,5-dimethylthieno[3,2-b]thiophene is sourced from PubChem (CID 155308114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).