10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole

C23H12ClNS2 — CID 171455403

IUPAC10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole
SMILESClc1c2sc(-c3ccc4ccccc4c3)nc2cc2c1sc1ccccc12
InChIInChI=1S/C23H12ClNS2/c24-20-21-17(16-7-3-4-8-19(16)26-21)12-18-22(20)27-23(25-18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyBHRKJQPTWOERNL-UHFFFAOYSA-N
MW401.94 g/mol
LogP8.14
Rot. Bonds1

About 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole

10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole (PubChem CID 171455403) has the molecular formula C23H12ClNS2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole
PubChem CID171455403
Molecular FormulaC23H12ClNS2
Molecular Weight401.94 g/mol
Exact Mass401.01
IUPAC Name10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole
SMILESClc1c2sc(-c3ccc4ccccc4c3)nc2cc2c1sc1ccccc12
InChIInChI=1S/C23H12ClNS2/c24-20-21-17(16-7-3-4-8-19(16)26-21)12-18-22(20)27-23(25-18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyBHRKJQPTWOERNL-UHFFFAOYSA-N
XLogP8.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-anthracen-2-yl-1,3-benzothiazin-4-one
CID 71426550
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 171412005
2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 155040144
6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 122425732
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
4-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171456477
4-phenanthren-9-yl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]aniline
CID 171456298
2-naphthalen-2-yl-5-(4-phenanthren-3-ylnaphthalen-1-yl)-1,3-benzothiazole
CID 164780545
3-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 171455647
11-(4-naphthalen-2-ylquinazolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 155790919

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
The IUPAC name of 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole (CID 171455403) is 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
The canonical SMILES for 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole is Clc1c2sc(-c3ccc4ccccc4c3)nc2cc2c1sc1ccccc12.
What is the InChIKey of 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
The InChIKey is BHRKJQPTWOERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClNS2/c24-20-21-17(16-7-3-4-8-19(16)26-21)12-18-22(20)27-23(25-18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H.
What are the key properties of 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole has a molecular weight of 401.94 g/mol, XLogP of 8.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 171455403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).