6-tert-butylthieno[3,2-b]thiophene

C10H12S2 — CID 177123620

IUPAC6-tert-butylthieno[3,2-b]thiophene
SMILESCC(C)(C)c1csc2ccsc12
InChIInChI=1S/C10H12S2/c1-10(2,3)7-6-12-8-4-5-11-9(7)8/h4-6H,1-3H3
InChIKeyXDURWVDIKAVKJY-UHFFFAOYSA-N
MW196.34 g/mol
LogP4.26
Rot. Bonds

About 6-tert-butylthieno[3,2-b]thiophene

6-tert-butylthieno[3,2-b]thiophene (PubChem CID 177123620) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 6-tert-butylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name6-tert-butylthieno[3,2-b]thiophene
PubChem CID177123620
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name6-tert-butylthieno[3,2-b]thiophene
SMILESCC(C)(C)c1csc2ccsc12
InChIInChI=1S/C10H12S2/c1-10(2,3)7-6-12-8-4-5-11-9(7)8/h4-6H,1-3H3
InChIKeyXDURWVDIKAVKJY-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylthieno[3,2-b]thiophene?
The IUPAC name of 6-tert-butylthieno[3,2-b]thiophene (CID 177123620) is 6-tert-butylthieno[3,2-b]thiophene.
What is the SMILES notation for 6-tert-butylthieno[3,2-b]thiophene?
The canonical SMILES for 6-tert-butylthieno[3,2-b]thiophene is CC(C)(C)c1csc2ccsc12.
What is the InChIKey of 6-tert-butylthieno[3,2-b]thiophene?
The InChIKey is XDURWVDIKAVKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-10(2,3)7-6-12-8-4-5-11-9(7)8/h4-6H,1-3H3.
What are the key properties of 6-tert-butylthieno[3,2-b]thiophene?
6-tert-butylthieno[3,2-b]thiophene has a molecular weight of 196.34 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylthieno[3,2-b]thiophene is sourced from PubChem (CID 177123620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).