11-chloronaphtho[2,1-b][1]benzothiole

C16H9ClS — CID 166503443

IUPAC11-chloronaphtho[2,1-b][1]benzothiole
SMILESClc1cccc2sc3ccc4ccccc4c3c12
InChIInChI=1S/C16H9ClS/c17-12-6-3-7-13-16(12)15-11-5-2-1-4-10(11)8-9-14(15)18-13/h1-9H
InChIKeyDRQUKEVBQNSPKY-UHFFFAOYSA-N
MW268.77 g/mol
LogP5.86
Rot. Bonds

About 11-chloronaphtho[2,1-b][1]benzothiole

11-chloronaphtho[2,1-b][1]benzothiole (PubChem CID 166503443) has the molecular formula C16H9ClS and a molecular weight of 268.77 g/mol. Its IUPAC name is 11-chloronaphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Name11-chloronaphtho[2,1-b][1]benzothiole
PubChem CID166503443
Molecular FormulaC16H9ClS
Molecular Weight268.77 g/mol
Exact Mass268.01
IUPAC Name11-chloronaphtho[2,1-b][1]benzothiole
SMILESClc1cccc2sc3ccc4ccccc4c3c12
InChIInChI=1S/C16H9ClS/c17-12-6-3-7-13-16(12)15-11-5-2-1-4-10(11)8-9-14(15)18-13/h1-9H
InChIKeyDRQUKEVBQNSPKY-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.77
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-chloronaphtho[2,1-b][1]benzothiole?
The IUPAC name of 11-chloronaphtho[2,1-b][1]benzothiole (CID 166503443) is 11-chloronaphtho[2,1-b][1]benzothiole.
What is the SMILES notation for 11-chloronaphtho[2,1-b][1]benzothiole?
The canonical SMILES for 11-chloronaphtho[2,1-b][1]benzothiole is Clc1cccc2sc3ccc4ccccc4c3c12.
What is the InChIKey of 11-chloronaphtho[2,1-b][1]benzothiole?
The InChIKey is DRQUKEVBQNSPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClS/c17-12-6-3-7-13-16(12)15-11-5-2-1-4-10(11)8-9-14(15)18-13/h1-9H.
What are the key properties of 11-chloronaphtho[2,1-b][1]benzothiole?
11-chloronaphtho[2,1-b][1]benzothiole has a molecular weight of 268.77 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloronaphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 166503443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).