6-bromo-4-fluoro-1,3-benzothiazole

C7H3BrFNS — CID 90134564

IUPAC6-bromo-4-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)cc2scnc12
InChIInChI=1S/C7H3BrFNS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
InChIKeyCVFRSCIDHQWFGC-UHFFFAOYSA-N
MW232.08 g/mol
LogP3.20
Rot. Bonds

About 6-bromo-4-fluoro-1,3-benzothiazole

6-bromo-4-fluoro-1,3-benzothiazole (PubChem CID 90134564) has the molecular formula C7H3BrFNS and a molecular weight of 232.08 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-1,3-benzothiazole
PubChem CID90134564
Molecular FormulaC7H3BrFNS
Molecular Weight232.08 g/mol
Exact Mass230.92
IUPAC Name6-bromo-4-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)cc2scnc12
InChIInChI=1S/C7H3BrFNS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
InChIKeyCVFRSCIDHQWFGC-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1,3-benzothiazole?
The IUPAC name of 6-bromo-4-fluoro-1,3-benzothiazole (CID 90134564) is 6-bromo-4-fluoro-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-4-fluoro-1,3-benzothiazole?
The canonical SMILES for 6-bromo-4-fluoro-1,3-benzothiazole is Fc1cc(Br)cc2scnc12.
What is the InChIKey of 6-bromo-4-fluoro-1,3-benzothiazole?
The InChIKey is CVFRSCIDHQWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H.
What are the key properties of 6-bromo-4-fluoro-1,3-benzothiazole?
6-bromo-4-fluoro-1,3-benzothiazole has a molecular weight of 232.08 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1,3-benzothiazole is sourced from PubChem (CID 90134564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).