7-methoxybenzo[e][1,2]benzothiazole

C12H9NOS — CID 66845923

IUPAC7-methoxybenzo[e][1,2]benzothiazole
SMILESCOc1ccc2c(ccc3sncc32)c1
InChIInChI=1S/C12H9NOS/c1-14-9-3-4-10-8(6-9)2-5-12-11(10)7-13-15-12/h2-7H,1H3
InChIKeyFKCXEFZYHDZZJJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.46
Rot. Bonds1

About 7-methoxybenzo[e][1,2]benzothiazole

7-methoxybenzo[e][1,2]benzothiazole (PubChem CID 66845923) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 7-methoxybenzo[e][1,2]benzothiazole.

Molecular Properties

Compound Name7-methoxybenzo[e][1,2]benzothiazole
PubChem CID66845923
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name7-methoxybenzo[e][1,2]benzothiazole
SMILESCOc1ccc2c(ccc3sncc32)c1
InChIInChI=1S/C12H9NOS/c1-14-9-3-4-10-8(6-9)2-5-12-11(10)7-13-15-12/h2-7H,1H3
InChIKeyFKCXEFZYHDZZJJ-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxybenzo[e][1,2]benzothiazole?
The IUPAC name of 7-methoxybenzo[e][1,2]benzothiazole (CID 66845923) is 7-methoxybenzo[e][1,2]benzothiazole.
What is the SMILES notation for 7-methoxybenzo[e][1,2]benzothiazole?
The canonical SMILES for 7-methoxybenzo[e][1,2]benzothiazole is COc1ccc2c(ccc3sncc32)c1.
What is the InChIKey of 7-methoxybenzo[e][1,2]benzothiazole?
The InChIKey is FKCXEFZYHDZZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-14-9-3-4-10-8(6-9)2-5-12-11(10)7-13-15-12/h2-7H,1H3.
What are the key properties of 7-methoxybenzo[e][1,2]benzothiazole?
7-methoxybenzo[e][1,2]benzothiazole has a molecular weight of 215.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxybenzo[e][1,2]benzothiazole is sourced from PubChem (CID 66845923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).