3-chloro-6-phenyl-1,2-benzothiazole

C13H8ClNS — CID 129031299

IUPAC3-chloro-6-phenyl-1,2-benzothiazole
SMILESClc1nsc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C13H8ClNS/c14-13-11-7-6-10(8-12(11)16-15-13)9-4-2-1-3-5-9/h1-8H
InChIKeyUIMCLCYLUVDNHQ-UHFFFAOYSA-N
MW245.73 g/mol
LogP4.62
Rot. Bonds1

About 3-chloro-6-phenyl-1,2-benzothiazole

3-chloro-6-phenyl-1,2-benzothiazole (PubChem CID 129031299) has the molecular formula C13H8ClNS and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-chloro-6-phenyl-1,2-benzothiazole.

Molecular Properties

Compound Name3-chloro-6-phenyl-1,2-benzothiazole
PubChem CID129031299
Molecular FormulaC13H8ClNS
Molecular Weight245.73 g/mol
Exact Mass245.01
IUPAC Name3-chloro-6-phenyl-1,2-benzothiazole
SMILESClc1nsc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C13H8ClNS/c14-13-11-7-6-10(8-12(11)16-15-13)9-4-2-1-3-5-9/h1-8H
InChIKeyUIMCLCYLUVDNHQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2-benzothiazole
CID 91550273
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 154624619
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 169059274
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2-[7-(3,5-diphenylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 166952939
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
6-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13,15,17-octaene
CID 118374098
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
3-tert-butyl-7-phenyldibenzothiophene
CID 138708120
8,22-diphenyl-5,19-dithiaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6(11),7,9,13,16,18(26),20(25),21,23,27-tridecaene
CID 132594863

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenyl-1,2-benzothiazole?
The IUPAC name of 3-chloro-6-phenyl-1,2-benzothiazole (CID 129031299) is 3-chloro-6-phenyl-1,2-benzothiazole.
What is the SMILES notation for 3-chloro-6-phenyl-1,2-benzothiazole?
The canonical SMILES for 3-chloro-6-phenyl-1,2-benzothiazole is Clc1nsc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 3-chloro-6-phenyl-1,2-benzothiazole?
The InChIKey is UIMCLCYLUVDNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNS/c14-13-11-7-6-10(8-12(11)16-15-13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3-chloro-6-phenyl-1,2-benzothiazole?
3-chloro-6-phenyl-1,2-benzothiazole has a molecular weight of 245.73 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-1,2-benzothiazole is sourced from PubChem (CID 129031299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).