6-phenylthieno[3,2-b]thiophene

C12H8S2 — CID 91665235

IUPAC6-phenylthieno[3,2-b]thiophene
SMILESc1ccc(-c2csc3ccsc23)cc1
InChIInChI=1S/C12H8S2/c1-2-4-9(5-3-1)10-8-14-11-6-7-13-12(10)11/h1-8H
InChIKeyNUMJORFGVQWINX-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.63
Rot. Bonds1

About 6-phenylthieno[3,2-b]thiophene

6-phenylthieno[3,2-b]thiophene (PubChem CID 91665235) has the molecular formula C12H8S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 6-phenylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name6-phenylthieno[3,2-b]thiophene
PubChem CID91665235
Molecular FormulaC12H8S2
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Name6-phenylthieno[3,2-b]thiophene
SMILESc1ccc(-c2csc3ccsc23)cc1
InChIInChI=1S/C12H8S2/c1-2-4-9(5-3-1)10-8-14-11-6-7-13-12(10)11/h1-8H
InChIKeyNUMJORFGVQWINX-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenylthieno[3,2-b]thiophene?
The IUPAC name of 6-phenylthieno[3,2-b]thiophene (CID 91665235) is 6-phenylthieno[3,2-b]thiophene.
What is the SMILES notation for 6-phenylthieno[3,2-b]thiophene?
The canonical SMILES for 6-phenylthieno[3,2-b]thiophene is c1ccc(-c2csc3ccsc23)cc1.
What is the InChIKey of 6-phenylthieno[3,2-b]thiophene?
The InChIKey is NUMJORFGVQWINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-2-4-9(5-3-1)10-8-14-11-6-7-13-12(10)11/h1-8H.
What are the key properties of 6-phenylthieno[3,2-b]thiophene?
6-phenylthieno[3,2-b]thiophene has a molecular weight of 216.33 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylthieno[3,2-b]thiophene is sourced from PubChem (CID 91665235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).