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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Related Compounds

9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 139422504
(2-naphtho[2,1-b][1]benzothiol-11-ylphenyl)boronic acid
CID 142752830
16-thiaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 175478801
1-bromonaphtho[2,1-b][1]benzothiole
CID 142294349
11-[3-[3-(3-methylphenyl)phenyl]phenyl]naphtho[2,1-b][1]benzothiole
CID 142294051
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164355
18-chloro-23-thia-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337272
10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
9-chlorodibenzothiophen-4-ol
CID 166591681
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
CID 139525351
10-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 155401269
naphtho[2,1-b][1]benzothiole-8,9-diamine
CID 138493784

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).