6-bromo-7-chloro-1,2-benzothiazole

C7H3BrClNS — CID 130064317

IUPAC6-bromo-7-chloro-1,2-benzothiazole
SMILESClc1c(Br)ccc2cnsc12
InChIInChI=1S/C7H3BrClNS/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H
InChIKeyPPXZQLGQYWXTCE-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

About 6-bromo-7-chloro-1,2-benzothiazole

6-bromo-7-chloro-1,2-benzothiazole (PubChem CID 130064317) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 6-bromo-7-chloro-1,2-benzothiazole.

Molecular Properties

Compound Name6-bromo-7-chloro-1,2-benzothiazole
PubChem CID130064317
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name6-bromo-7-chloro-1,2-benzothiazole
SMILESClc1c(Br)ccc2cnsc12
InChIInChI=1S/C7H3BrClNS/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H
InChIKeyPPXZQLGQYWXTCE-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-chloro-1,2-benzothiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-1,2-benzothiazole?
The IUPAC name of 6-bromo-7-chloro-1,2-benzothiazole (CID 130064317) is 6-bromo-7-chloro-1,2-benzothiazole.
What is the SMILES notation for 6-bromo-7-chloro-1,2-benzothiazole?
The canonical SMILES for 6-bromo-7-chloro-1,2-benzothiazole is Clc1c(Br)ccc2cnsc12.
What is the InChIKey of 6-bromo-7-chloro-1,2-benzothiazole?
The InChIKey is PPXZQLGQYWXTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H.
What are the key properties of 6-bromo-7-chloro-1,2-benzothiazole?
6-bromo-7-chloro-1,2-benzothiazole has a molecular weight of 248.53 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-1,2-benzothiazole is sourced from PubChem (CID 130064317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).