2,4-dibromo-1,3-benzothiazole

C7H3Br2NS — CID 24728903

IUPAC2,4-dibromo-1,3-benzothiazole
SMILESBrc1nc2c(Br)cccc2s1
InChIInChI=1S/C7H3Br2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
InChIKeyAZOZOHCZAFSZIG-UHFFFAOYSA-N
MW292.98 g/mol
LogP3.82
Rot. Bonds

About 2,4-dibromo-1,3-benzothiazole

2,4-dibromo-1,3-benzothiazole (PubChem CID 24728903) has the molecular formula C7H3Br2NS and a molecular weight of 292.98 g/mol. Its IUPAC name is 2,4-dibromo-1,3-benzothiazole.

Molecular Properties

Compound Name2,4-dibromo-1,3-benzothiazole
PubChem CID24728903
Molecular FormulaC7H3Br2NS
Molecular Weight292.98 g/mol
Exact Mass290.84
IUPAC Name2,4-dibromo-1,3-benzothiazole
SMILESBrc1nc2c(Br)cccc2s1
InChIInChI=1S/C7H3Br2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
InChIKeyAZOZOHCZAFSZIG-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.98
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3-benzothiazole?
The IUPAC name of 2,4-dibromo-1,3-benzothiazole (CID 24728903) is 2,4-dibromo-1,3-benzothiazole.
What is the SMILES notation for 2,4-dibromo-1,3-benzothiazole?
The canonical SMILES for 2,4-dibromo-1,3-benzothiazole is Brc1nc2c(Br)cccc2s1.
What is the InChIKey of 2,4-dibromo-1,3-benzothiazole?
The InChIKey is AZOZOHCZAFSZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H.
What are the key properties of 2,4-dibromo-1,3-benzothiazole?
2,4-dibromo-1,3-benzothiazole has a molecular weight of 292.98 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3-benzothiazole is sourced from PubChem (CID 24728903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).