5-bromo-6-methoxy-1,2-benzothiazole

C8H6BrNOS — CID 130064326

IUPAC5-bromo-6-methoxy-1,2-benzothiazole
SMILESCOc1cc2sncc2cc1Br
InChIInChI=1S/C8H6BrNOS/c1-11-7-3-8-5(2-6(7)9)4-10-12-8/h2-4H,1H3
InChIKeyIRTUUGOPKOJILQ-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.07
Rot. Bonds1

About 5-bromo-6-methoxy-1,2-benzothiazole

5-bromo-6-methoxy-1,2-benzothiazole (PubChem CID 130064326) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-bromo-6-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name5-bromo-6-methoxy-1,2-benzothiazole
PubChem CID130064326
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-bromo-6-methoxy-1,2-benzothiazole
SMILESCOc1cc2sncc2cc1Br
InChIInChI=1S/C8H6BrNOS/c1-11-7-3-8-5(2-6(7)9)4-10-12-8/h2-4H,1H3
InChIKeyIRTUUGOPKOJILQ-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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Related Compounds

4-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064204
5-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064220
7-Bromo-5-fluoro-6-methoxy-1,2-benzothiazole
CID 131985770
7-Bromo-4-fluoro-6-methoxy-1,2-benzothiazole
CID 131985839
6-(Trifluoromethoxy)-1,2-benzothiazole
CID 121231921
6-(Difluoromethoxy)-1,2-benzothiazole
CID 121231923
7-Bromo-4-methoxy-benzo[d]isothiazole
CID 17981932
6-Ethoxybenzo[d]isothiazole
CID 19384353
6-Prop-2-enoxy-1,2-benzothiazole
CID 19384361
1,2-Benzisothiazole, 6-methoxy-
CID 53743486
3-Bromo-6-methoxy-1,2-benzothiazole
CID 71149595
6-Bromo-5-methoxy-1,2-benzisothiazole
CID 130064334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-1,2-benzothiazole?
The IUPAC name of 5-bromo-6-methoxy-1,2-benzothiazole (CID 130064326) is 5-bromo-6-methoxy-1,2-benzothiazole.
What is the SMILES notation for 5-bromo-6-methoxy-1,2-benzothiazole?
The canonical SMILES for 5-bromo-6-methoxy-1,2-benzothiazole is COc1cc2sncc2cc1Br.
What is the InChIKey of 5-bromo-6-methoxy-1,2-benzothiazole?
The InChIKey is IRTUUGOPKOJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-11-7-3-8-5(2-6(7)9)4-10-12-8/h2-4H,1H3.
What are the key properties of 5-bromo-6-methoxy-1,2-benzothiazole?
5-bromo-6-methoxy-1,2-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 5-bromo-6-methoxy-1,2-benzothiazole is sourced from PubChem (CID 130064326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).