7-bromo-6-methoxy-3-methyl-1,2-benzothiazole

C9H8BrNOS — CID 131985809

IUPAC7-bromo-6-methoxy-3-methyl-1,2-benzothiazole
SMILESCOc1ccc2c(C)nsc2c1Br
InChIInChI=1S/C9H8BrNOS/c1-5-6-3-4-7(12-2)8(10)9(6)13-11-5/h3-4H,1-2H3
InChIKeyBGGKFBXIJFXWDA-UHFFFAOYSA-N
MW258.14 g/mol
LogP3.38
Rot. Bonds1

About 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole

7-bromo-6-methoxy-3-methyl-1,2-benzothiazole (PubChem CID 131985809) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name7-bromo-6-methoxy-3-methyl-1,2-benzothiazole
PubChem CID131985809
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name7-bromo-6-methoxy-3-methyl-1,2-benzothiazole
SMILESCOc1ccc2c(C)nsc2c1Br
InChIInChI=1S/C9H8BrNOS/c1-5-6-3-4-7(12-2)8(10)9(6)13-11-5/h3-4H,1-2H3
InChIKeyBGGKFBXIJFXWDA-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-5-fluoro-6-methoxy-1,2-benzothiazole
CID 131985770
7-Bromo-4-fluoro-6-methoxy-1,2-benzothiazole
CID 131985839
3-Methyl-6-(trifluoromethoxy)-1,2-benzothiazole
CID 177219401
6-Methoxy-3-phenyl-1,2-benzothiazole
CID 146163286
6-(4-Bromo-butoxy)-3-methyl-benzo[d]isothiazole
CID 22313920
6-(4-Bromo-butoxy)-3-(4-bromo-phenyl)-benzo[d]isothiazole
CID 22313931
3-(4-Bromo-phenyl)-6-(3-bromo-propoxy)-benzo[d]isothiazole
CID 22314069
6-(2-Bromo-ethoxy)-3-(4-bromo-phenyl)-benzo[d]isothiazole
CID 22314138
3-methyl-6-[(2E)-octa-2,7-dienoxy]-1,2-benzothiazole
CID 22446490
3-(4-Bromophenyl)-6-methoxy-1,2-benzothiazole
CID 54037655
6-Bromo-3-(4-methoxyphenyl)-1,2-benzothiazole
CID 54544010
(E)-6-(4-bromo-but-2-enyloxy)-3-methyl-benzo[d]isothiazole
CID 67597941

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole?
The IUPAC name of 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole (CID 131985809) is 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole.
What is the SMILES notation for 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole?
The canonical SMILES for 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole is COc1ccc2c(C)nsc2c1Br.
What is the InChIKey of 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole?
The InChIKey is BGGKFBXIJFXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c1-5-6-3-4-7(12-2)8(10)9(6)13-11-5/h3-4H,1-2H3.
What are the key properties of 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole?
7-bromo-6-methoxy-3-methyl-1,2-benzothiazole has a molecular weight of 258.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-3-methyl-1,2-benzothiazole is sourced from PubChem (CID 131985809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).