9-bromo-7-methoxybenzo[g][1]benzothiole

C13H9BrOS — CID 171477320

IUPAC9-bromo-7-methoxybenzo[g][1]benzothiole
SMILESCOc1cc(Br)c2c(ccc3ccsc32)c1
InChIInChI=1S/C13H9BrOS/c1-15-10-6-9-3-2-8-4-5-16-13(8)12(9)11(14)7-10/h2-7H,1H3
InChIKeyVDYRYZKFLWTJNO-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.83
Rot. Bonds1

About 9-bromo-7-methoxybenzo[g][1]benzothiole

9-bromo-7-methoxybenzo[g][1]benzothiole (PubChem CID 171477320) has the molecular formula C13H9BrOS and a molecular weight of 293.19 g/mol. Its IUPAC name is 9-bromo-7-methoxybenzo[g][1]benzothiole.

Molecular Properties

Compound Name9-bromo-7-methoxybenzo[g][1]benzothiole
PubChem CID171477320
Molecular FormulaC13H9BrOS
Molecular Weight293.19 g/mol
Exact Mass291.96
IUPAC Name9-bromo-7-methoxybenzo[g][1]benzothiole
SMILESCOc1cc(Br)c2c(ccc3ccsc32)c1
InChIInChI=1S/C13H9BrOS/c1-15-10-6-9-3-2-8-4-5-16-13(8)12(9)11(14)7-10/h2-7H,1H3
InChIKeyVDYRYZKFLWTJNO-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-methoxybenzo[g][1]benzothiole?
The IUPAC name of 9-bromo-7-methoxybenzo[g][1]benzothiole (CID 171477320) is 9-bromo-7-methoxybenzo[g][1]benzothiole.
What is the SMILES notation for 9-bromo-7-methoxybenzo[g][1]benzothiole?
The canonical SMILES for 9-bromo-7-methoxybenzo[g][1]benzothiole is COc1cc(Br)c2c(ccc3ccsc32)c1.
What is the InChIKey of 9-bromo-7-methoxybenzo[g][1]benzothiole?
The InChIKey is VDYRYZKFLWTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS/c1-15-10-6-9-3-2-8-4-5-16-13(8)12(9)11(14)7-10/h2-7H,1H3.
What are the key properties of 9-bromo-7-methoxybenzo[g][1]benzothiole?
9-bromo-7-methoxybenzo[g][1]benzothiole has a molecular weight of 293.19 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-methoxybenzo[g][1]benzothiole is sourced from PubChem (CID 171477320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).