1,3-dithiophen-2-yl-2-benzothiophene

C16H10S3 — CID 11033874

IUPAC1,3-dithiophen-2-yl-2-benzothiophene
SMILESc1csc(-c2sc(-c3cccs3)c3ccccc23)c1
InChIInChI=1S/C16H10S3/c1-2-6-12-11(5-1)15(13-7-3-9-17-13)19-16(12)14-8-4-10-18-14/h1-10H
InChIKeyXJOQFQVUDPLZSK-UHFFFAOYSA-N
MW298.46 g/mol
LogP6.36
Rot. Bonds2

About 1,3-dithiophen-2-yl-2-benzothiophene

1,3-dithiophen-2-yl-2-benzothiophene (PubChem CID 11033874) has the molecular formula C16H10S3 and a molecular weight of 298.46 g/mol. Its IUPAC name is 1,3-dithiophen-2-yl-2-benzothiophene.

Molecular Properties

Compound Name1,3-dithiophen-2-yl-2-benzothiophene
PubChem CID11033874
Molecular FormulaC16H10S3
Molecular Weight298.46 g/mol
Exact Mass297.99
IUPAC Name1,3-dithiophen-2-yl-2-benzothiophene
SMILESc1csc(-c2sc(-c3cccs3)c3ccccc23)c1
InChIInChI=1S/C16H10S3/c1-2-6-12-11(5-1)15(13-7-3-9-17-13)19-16(12)14-8-4-10-18-14/h1-10H
InChIKeyXJOQFQVUDPLZSK-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.46
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithiophen-2-yl-2-benzothiophene?
The IUPAC name of 1,3-dithiophen-2-yl-2-benzothiophene (CID 11033874) is 1,3-dithiophen-2-yl-2-benzothiophene.
What is the SMILES notation for 1,3-dithiophen-2-yl-2-benzothiophene?
The canonical SMILES for 1,3-dithiophen-2-yl-2-benzothiophene is c1csc(-c2sc(-c3cccs3)c3ccccc23)c1.
What is the InChIKey of 1,3-dithiophen-2-yl-2-benzothiophene?
The InChIKey is XJOQFQVUDPLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S3/c1-2-6-12-11(5-1)15(13-7-3-9-17-13)19-16(12)14-8-4-10-18-14/h1-10H.
What are the key properties of 1,3-dithiophen-2-yl-2-benzothiophene?
1,3-dithiophen-2-yl-2-benzothiophene has a molecular weight of 298.46 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiophen-2-yl-2-benzothiophene is sourced from PubChem (CID 11033874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).