2-bromo-6-chloro-1,3-benzothiazole

C7H3BrClNS — CID 11499762

IUPAC2-bromo-6-chloro-1,3-benzothiazole
SMILESClc1ccc2nc(Br)sc2c1
InChIInChI=1S/C7H3BrClNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKeySWCKCAROSKGHBI-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

About 2-bromo-6-chloro-1,3-benzothiazole

2-bromo-6-chloro-1,3-benzothiazole (PubChem CID 11499762) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 2-bromo-6-chloro-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-6-chloro-1,3-benzothiazole
PubChem CID11499762
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name2-bromo-6-chloro-1,3-benzothiazole
SMILESClc1ccc2nc(Br)sc2c1
InChIInChI=1S/C7H3BrClNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKeySWCKCAROSKGHBI-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

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Related Compounds

6-chloro-2-iodo-1,3-benzothiazole
CID 18967167
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
1,5-bis(6-chloro-1,3-benzothiazol-2-yl)pentan-3-one
CID 174833116
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-6-chloro-1,3-benzothiazole
CID 100817920
2-bromo-6-chloro-1,3-benzothiazole;bromozinc(1+);6-chloro-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;1,1,1-trifluoro-2-methanidyl-2-methylpropane
CID 160951166
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-bromo-9-chlorobenzo[a]phenothiazin-5-one
CID 86103987
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-1,3-benzothiazole?
The IUPAC name of 2-bromo-6-chloro-1,3-benzothiazole (CID 11499762) is 2-bromo-6-chloro-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-6-chloro-1,3-benzothiazole?
The canonical SMILES for 2-bromo-6-chloro-1,3-benzothiazole is Clc1ccc2nc(Br)sc2c1.
What is the InChIKey of 2-bromo-6-chloro-1,3-benzothiazole?
The InChIKey is SWCKCAROSKGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H.
What are the key properties of 2-bromo-6-chloro-1,3-benzothiazole?
2-bromo-6-chloro-1,3-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 2-bromo-6-chloro-1,3-benzothiazole is sourced from PubChem (CID 11499762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).