4,5-diphenylthieno[3,2-e][1]benzothiole

C22H14S2 — CID 10593431

IUPAC4,5-diphenylthieno[3,2-e][1]benzothiole
SMILESc1ccc(-c2c(-c3ccccc3)c3sccc3c3ccsc23)cc1
InChIInChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-20(16-9-5-2-6-10-16)22-18(12-14-24-22)17-11-13-23-21(17)19/h1-14H
InChIKeyQQBWFJYUEXGEMJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP7.45
Rot. Bonds2

About 4,5-diphenylthieno[3,2-e][1]benzothiole

4,5-diphenylthieno[3,2-e][1]benzothiole (PubChem CID 10593431) has the molecular formula C22H14S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4,5-diphenylthieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name4,5-diphenylthieno[3,2-e][1]benzothiole
PubChem CID10593431
Molecular FormulaC22H14S2
Molecular Weight342.49 g/mol
Exact Mass342.05
IUPAC Name4,5-diphenylthieno[3,2-e][1]benzothiole
SMILESc1ccc(-c2c(-c3ccccc3)c3sccc3c3ccsc23)cc1
InChIInChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-20(16-9-5-2-6-10-16)22-18(12-14-24-22)17-11-13-23-21(17)19/h1-14H
InChIKeyQQBWFJYUEXGEMJ-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylthieno[3,2-e][1]benzothiole?
The IUPAC name of 4,5-diphenylthieno[3,2-e][1]benzothiole (CID 10593431) is 4,5-diphenylthieno[3,2-e][1]benzothiole.
What is the SMILES notation for 4,5-diphenylthieno[3,2-e][1]benzothiole?
The canonical SMILES for 4,5-diphenylthieno[3,2-e][1]benzothiole is c1ccc(-c2c(-c3ccccc3)c3sccc3c3ccsc23)cc1.
What is the InChIKey of 4,5-diphenylthieno[3,2-e][1]benzothiole?
The InChIKey is QQBWFJYUEXGEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-20(16-9-5-2-6-10-16)22-18(12-14-24-22)17-11-13-23-21(17)19/h1-14H.
What are the key properties of 4,5-diphenylthieno[3,2-e][1]benzothiole?
4,5-diphenylthieno[3,2-e][1]benzothiole has a molecular weight of 342.49 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylthieno[3,2-e][1]benzothiole is sourced from PubChem (CID 10593431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).