2,6-dibromothieno[3,2-f][1]benzothiole

C10H4Br2S2 — CID 91659146

IUPAC2,6-dibromothieno[3,2-f][1]benzothiole
SMILESBrc1cc2cc3cc(Br)sc3cc2s1
InChIInChI=1S/C10H4Br2S2/c11-9-2-5-1-6-3-10(12)14-8(6)4-7(5)13-9/h1-4H
InChIKeyPZJRHIYHVCHULC-UHFFFAOYSA-N
MW348.08 g/mol
LogP5.64
Rot. Bonds

About 2,6-dibromothieno[3,2-f][1]benzothiole

2,6-dibromothieno[3,2-f][1]benzothiole (PubChem CID 91659146) has the molecular formula C10H4Br2S2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 2,6-dibromothieno[3,2-f][1]benzothiole.

Molecular Properties

Compound Name2,6-dibromothieno[3,2-f][1]benzothiole
PubChem CID91659146
Molecular FormulaC10H4Br2S2
Molecular Weight348.08 g/mol
Exact Mass345.81
IUPAC Name2,6-dibromothieno[3,2-f][1]benzothiole
SMILESBrc1cc2cc3cc(Br)sc3cc2s1
InChIInChI=1S/C10H4Br2S2/c11-9-2-5-1-6-3-10(12)14-8(6)4-7(5)13-9/h1-4H
InChIKeyPZJRHIYHVCHULC-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.08
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromothieno[3,2-f][1]benzothiole?
The IUPAC name of 2,6-dibromothieno[3,2-f][1]benzothiole (CID 91659146) is 2,6-dibromothieno[3,2-f][1]benzothiole.
What is the SMILES notation for 2,6-dibromothieno[3,2-f][1]benzothiole?
The canonical SMILES for 2,6-dibromothieno[3,2-f][1]benzothiole is Brc1cc2cc3cc(Br)sc3cc2s1.
What is the InChIKey of 2,6-dibromothieno[3,2-f][1]benzothiole?
The InChIKey is PZJRHIYHVCHULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2S2/c11-9-2-5-1-6-3-10(12)14-8(6)4-7(5)13-9/h1-4H.
What are the key properties of 2,6-dibromothieno[3,2-f][1]benzothiole?
2,6-dibromothieno[3,2-f][1]benzothiole has a molecular weight of 348.08 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromothieno[3,2-f][1]benzothiole is sourced from PubChem (CID 91659146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).