2,4-dibromo-7-methyl-1,3-benzothiazole

C8H5Br2NS — CID 130063341

IUPAC2,4-dibromo-7-methyl-1,3-benzothiazole
SMILESCc1ccc(Br)c2nc(Br)sc12
InChIInChI=1S/C8H5Br2NS/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3
InChIKeyVWUZTWXIWFBQMT-UHFFFAOYSA-N
MW307.01 g/mol
LogP4.13
Rot. Bonds

About 2,4-dibromo-7-methyl-1,3-benzothiazole

2,4-dibromo-7-methyl-1,3-benzothiazole (PubChem CID 130063341) has the molecular formula C8H5Br2NS and a molecular weight of 307.01 g/mol. Its IUPAC name is 2,4-dibromo-7-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2,4-dibromo-7-methyl-1,3-benzothiazole
PubChem CID130063341
Molecular FormulaC8H5Br2NS
Molecular Weight307.01 g/mol
Exact Mass304.85
IUPAC Name2,4-dibromo-7-methyl-1,3-benzothiazole
SMILESCc1ccc(Br)c2nc(Br)sc12
InChIInChI=1S/C8H5Br2NS/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3
InChIKeyVWUZTWXIWFBQMT-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.01
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-7-methyl-1,3-benzothiazole?
The IUPAC name of 2,4-dibromo-7-methyl-1,3-benzothiazole (CID 130063341) is 2,4-dibromo-7-methyl-1,3-benzothiazole.
What is the SMILES notation for 2,4-dibromo-7-methyl-1,3-benzothiazole?
The canonical SMILES for 2,4-dibromo-7-methyl-1,3-benzothiazole is Cc1ccc(Br)c2nc(Br)sc12.
What is the InChIKey of 2,4-dibromo-7-methyl-1,3-benzothiazole?
The InChIKey is VWUZTWXIWFBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NS/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3.
What are the key properties of 2,4-dibromo-7-methyl-1,3-benzothiazole?
2,4-dibromo-7-methyl-1,3-benzothiazole has a molecular weight of 307.01 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-7-methyl-1,3-benzothiazole is sourced from PubChem (CID 130063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).