4,7-dibromo-2,1,3-benzothiadiazole

C6H2Br2N2S — CID 626361

IUPAC4,7-dibromo-2,1,3-benzothiadiazole
SMILESBrc1ccc(Br)c2nsnc12
InChIInChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKeyFEOWHLLJXAECMU-UHFFFAOYSA-N
MW293.97 g/mol
LogP3.22
Rot. Bonds

About 4,7-dibromo-2,1,3-benzothiadiazole

4,7-dibromo-2,1,3-benzothiadiazole (PubChem CID 626361) has the molecular formula C6H2Br2N2S and a molecular weight of 293.97 g/mol. Its IUPAC name is 4,7-dibromo-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,7-dibromo-2,1,3-benzothiadiazole
PubChem CID626361
Molecular FormulaC6H2Br2N2S
Molecular Weight293.97 g/mol
Exact Mass291.83
IUPAC Name4,7-dibromo-2,1,3-benzothiadiazole
SMILESBrc1ccc(Br)c2nsnc12
InChIInChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKeyFEOWHLLJXAECMU-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

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Related Compounds

7-bromo-1H-1,2,3-benzotriazole
CID 21707869
4-Bromo-2,1,3-benzothiadiazole
CID 736492
4-Bromo-2,1,3-benzoxadiazole
CID 607823
4,7-Dibromo-2,1,3-benzoselenadiazole
CID 631165
5,7-Dibromo-2,1,3-benzothiadiazol-4-amine
CID 768456
5-Bromo-benzo[2,1,3]thiadiazole
CID 2776295
4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole
CID 59523104
4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole
CID 67515326
4,7-Dibromo-1H-benzo[d][1,2,3]triazole
CID 33778309
2,1,3-Benzoselenadiazole, 4,6-dibromo-
CID 14029992
4,7-Dibromobenzo[c][1,2,5]oxadiazole
CID 179636
4-Bromo-5,6-difluorobenzo[c][1,2,5]thiadiazole
CID 102126472

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-2,1,3-benzothiadiazole?
The IUPAC name of 4,7-dibromo-2,1,3-benzothiadiazole (CID 626361) is 4,7-dibromo-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,7-dibromo-2,1,3-benzothiadiazole?
The canonical SMILES for 4,7-dibromo-2,1,3-benzothiadiazole is Brc1ccc(Br)c2nsnc12.
What is the InChIKey of 4,7-dibromo-2,1,3-benzothiadiazole?
The InChIKey is FEOWHLLJXAECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H.
What are the key properties of 4,7-dibromo-2,1,3-benzothiadiazole?
4,7-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 4,7-dibromo-2,1,3-benzothiadiazole is sourced from PubChem (CID 626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).