5,6-dibromo-2,1,3-benzothiadiazole

C6H2Br2N2S — CID 11044589

IUPAC5,6-dibromo-2,1,3-benzothiadiazole
SMILESBrc1cc2nsnc2cc1Br
InChIInChI=1S/C6H2Br2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKeyXIDGOHYQUCNHTL-UHFFFAOYSA-N
MW293.97 g/mol
LogP3.22
Rot. Bonds

About 5,6-dibromo-2,1,3-benzothiadiazole

5,6-dibromo-2,1,3-benzothiadiazole (PubChem CID 11044589) has the molecular formula C6H2Br2N2S and a molecular weight of 293.97 g/mol. Its IUPAC name is 5,6-dibromo-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5,6-dibromo-2,1,3-benzothiadiazole
PubChem CID11044589
Molecular FormulaC6H2Br2N2S
Molecular Weight293.97 g/mol
Exact Mass291.83
IUPAC Name5,6-dibromo-2,1,3-benzothiadiazole
SMILESBrc1cc2nsnc2cc1Br
InChIInChI=1S/C6H2Br2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKeyXIDGOHYQUCNHTL-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.97
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dibromo-2,1,3-benzothiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2,1,3-benzothiadiazol-6-amine
CID 3096032
5-Bromo-1H-benzotriazole
CID 6400965
5,6-Dibromo-1H-benzotriazole
CID 6415885
4-Bromo-2,1,3-benzothiadiazole
CID 736492
4,7-Dibromo-2,1,3-benzothiadiazole
CID 626361
4,7-Dibromo-2,1,3-benzoselenadiazole
CID 631165
4,6-Dibromo-2,1,3-benzoxadiazole
CID 15209513
5,7-Dibromo-2,1,3-benzothiadiazol-4-amine
CID 768456
5-Bromo-benzo[2,1,3]thiadiazole
CID 2776295
5-Bromo-2,1,3-benzoxadiazole
CID 2776298
4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole
CID 67515326
5,7-Dibromo-1H-benzo[d][1,2,3]triazole
CID 12963735

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2,1,3-benzothiadiazole?
The IUPAC name of 5,6-dibromo-2,1,3-benzothiadiazole (CID 11044589) is 5,6-dibromo-2,1,3-benzothiadiazole.
What is the SMILES notation for 5,6-dibromo-2,1,3-benzothiadiazole?
The canonical SMILES for 5,6-dibromo-2,1,3-benzothiadiazole is Brc1cc2nsnc2cc1Br.
What is the InChIKey of 5,6-dibromo-2,1,3-benzothiadiazole?
The InChIKey is XIDGOHYQUCNHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H.
What are the key properties of 5,6-dibromo-2,1,3-benzothiadiazole?
5,6-dibromo-2,1,3-benzothiadiazole has a molecular weight of 293.97 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2,1,3-benzothiadiazole is sourced from PubChem (CID 11044589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).