8-methoxynaphtho[2,3-b][1]benzothiole

C17H12OS — CID 12946621

IUPAC8-methoxynaphtho[2,3-b][1]benzothiole
SMILESCOc1ccc2cc3c(cc2c1)sc1ccccc13
InChIInChI=1S/C17H12OS/c1-18-13-7-6-11-9-15-14-4-2-3-5-16(14)19-17(15)10-12(11)8-13/h2-10H,1H3
InChIKeyPZFHMBXHWBGABF-UHFFFAOYSA-N
MW264.35 g/mol
LogP5.22
Rot. Bonds1

About 8-methoxynaphtho[2,3-b][1]benzothiole

8-methoxynaphtho[2,3-b][1]benzothiole (PubChem CID 12946621) has the molecular formula C17H12OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 8-methoxynaphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name8-methoxynaphtho[2,3-b][1]benzothiole
PubChem CID12946621
Molecular FormulaC17H12OS
Molecular Weight264.35 g/mol
Exact Mass264.06
IUPAC Name8-methoxynaphtho[2,3-b][1]benzothiole
SMILESCOc1ccc2cc3c(cc2c1)sc1ccccc13
InChIInChI=1S/C17H12OS/c1-18-13-7-6-11-9-15-14-4-2-3-5-16(14)19-17(15)10-12(11)8-13/h2-10H,1H3
InChIKeyPZFHMBXHWBGABF-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxynaphtho[2,3-b][1]benzothiole?
The IUPAC name of 8-methoxynaphtho[2,3-b][1]benzothiole (CID 12946621) is 8-methoxynaphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 8-methoxynaphtho[2,3-b][1]benzothiole?
The canonical SMILES for 8-methoxynaphtho[2,3-b][1]benzothiole is COc1ccc2cc3c(cc2c1)sc1ccccc13.
What is the InChIKey of 8-methoxynaphtho[2,3-b][1]benzothiole?
The InChIKey is PZFHMBXHWBGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12OS/c1-18-13-7-6-11-9-15-14-4-2-3-5-16(14)19-17(15)10-12(11)8-13/h2-10H,1H3.
What are the key properties of 8-methoxynaphtho[2,3-b][1]benzothiole?
8-methoxynaphtho[2,3-b][1]benzothiole has a molecular weight of 264.35 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxynaphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 12946621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).