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

C8H6BrNOS — CID 130937417

IUPAC6-bromo-4-methoxy-1,3-benzothiazole
SMILESCOc1cc(Br)cc2scnc12
InChIInChI=1S/C8H6BrNOS/c1-11-6-2-5(9)3-7-8(6)10-4-12-7/h2-4H,1H3
InChIKeyFPICIXDVYIAAMT-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.07
Rot. Bonds1

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

6-bromo-4-methoxy-1,3-benzothiazole (PubChem CID 130937417) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 6-bromo-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-4-methoxy-1,3-benzothiazole
PubChem CID130937417
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name6-bromo-4-methoxy-1,3-benzothiazole
SMILESCOc1cc(Br)cc2scnc12
InChIInChI=1S/C8H6BrNOS/c1-11-6-2-5(9)3-7-8(6)10-4-12-7/h2-4H,1H3
InChIKeyFPICIXDVYIAAMT-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-1,3-benzothiazole?
The IUPAC name of 6-bromo-4-methoxy-1,3-benzothiazole (CID 130937417) is 6-bromo-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 6-bromo-4-methoxy-1,3-benzothiazole is COc1cc(Br)cc2scnc12.
What is the InChIKey of 6-bromo-4-methoxy-1,3-benzothiazole?
The InChIKey is FPICIXDVYIAAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-11-6-2-5(9)3-7-8(6)10-4-12-7/h2-4H,1H3.
What are the key properties of 6-bromo-4-methoxy-1,3-benzothiazole?
6-bromo-4-methoxy-1,3-benzothiazole has a molecular weight of 244.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 130937417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).