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

C12H9NOS — CID 66846362

IUPAC8-methoxybenzo[e][1,2]benzothiazole
SMILESCOc1ccc2ccc3sncc3c2c1
InChIInChI=1S/C12H9NOS/c1-14-9-4-2-8-3-5-12-11(7-13-15-12)10(8)6-9/h2-7H,1H3
InChIKeyFSPXGIGFANKNKG-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.46
Rot. Bonds1

About 8-methoxybenzo[e][1,2]benzothiazole

8-methoxybenzo[e][1,2]benzothiazole (PubChem CID 66846362) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 8-methoxybenzo[e][1,2]benzothiazole.

Molecular Properties

Compound Name8-methoxybenzo[e][1,2]benzothiazole
PubChem CID66846362
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name8-methoxybenzo[e][1,2]benzothiazole
SMILESCOc1ccc2ccc3sncc3c2c1
InChIInChI=1S/C12H9NOS/c1-14-9-4-2-8-3-5-12-11(7-13-15-12)10(8)6-9/h2-7H,1H3
InChIKeyFSPXGIGFANKNKG-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 8-methoxybenzo[e][1,2]benzothiazole?
The IUPAC name of 8-methoxybenzo[e][1,2]benzothiazole (CID 66846362) is 8-methoxybenzo[e][1,2]benzothiazole.
What is the SMILES notation for 8-methoxybenzo[e][1,2]benzothiazole?
The canonical SMILES for 8-methoxybenzo[e][1,2]benzothiazole is COc1ccc2ccc3sncc3c2c1.
What is the InChIKey of 8-methoxybenzo[e][1,2]benzothiazole?
The InChIKey is FSPXGIGFANKNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-14-9-4-2-8-3-5-12-11(7-13-15-12)10(8)6-9/h2-7H,1H3.
What are the key properties of 8-methoxybenzo[e][1,2]benzothiazole?
8-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 8-methoxybenzo[e][1,2]benzothiazole is sourced from PubChem (CID 66846362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).