2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole

C13H5Cl2NS2 — CID 171455467

IUPAC2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESClc1nc2cc3sc4c(Cl)cccc4c3cc2s1
InChIInChI=1S/C13H5Cl2NS2/c14-8-3-1-2-6-7-4-11-9(16-13(15)18-11)5-10(7)17-12(6)8/h1-5H
InChIKeyYTRGMWPTIXFTKA-UHFFFAOYSA-N
MW310.23 g/mol
LogP5.97
Rot. Bonds

About 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole

2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole (PubChem CID 171455467) has the molecular formula C13H5Cl2NS2 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole
PubChem CID171455467
Molecular FormulaC13H5Cl2NS2
Molecular Weight310.23 g/mol
Exact Mass308.92
IUPAC Name2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESClc1nc2cc3sc4c(Cl)cccc4c3cc2s1
InChIInChI=1S/C13H5Cl2NS2/c14-8-3-1-2-6-7-4-11-9(16-13(15)18-11)5-10(7)17-12(6)8/h1-5H
InChIKeyYTRGMWPTIXFTKA-UHFFFAOYSA-N
XLogP5.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.23
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole with MolForge

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Related Compounds

6,16-dichloro-5,11,17-trithia-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),6,9,12,14(18),15-octaene
CID 139356971
2,5,6-trichloro-1,3-benzothiazole
CID 22125400
2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 139440424
8-chloro-14-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
CID 164758773
1,3,6-trichlorodibenzothiophene
CID 527120
8-chloro-2-(cyclohexatrienyl)-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171456332
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171456524
4-bromo-6-chlorodibenzothiophene
CID 54757064
2,5-dichloro-6-methoxy-1,3-benzothiazole
CID 83841308
2-chloro-1,3-benzothiazole-6-thiol
CID 70528967
6-chloro-1-(2-phenylphenyl)dibenzothiophene
CID 176630481

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The IUPAC name of 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole (CID 171455467) is 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The canonical SMILES for 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole is Clc1nc2cc3sc4c(Cl)cccc4c3cc2s1.
What is the InChIKey of 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The InChIKey is YTRGMWPTIXFTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2NS2/c14-8-3-1-2-6-7-4-11-9(16-13(15)18-11)5-10(7)17-12(6)8/h1-5H.
What are the key properties of 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole?
2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole has a molecular weight of 310.23 g/mol, XLogP of 5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-[1]benzothiolo[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 171455467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).