2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole

C13H5Cl2NOS — CID 167123653

IUPAC2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESClc1ccc2oc3ccc4sc(Cl)nc4c3c2c1
InChIInChI=1S/C13H5Cl2NOS/c14-6-1-2-8-7(5-6)11-9(17-8)3-4-10-12(11)16-13(15)18-10/h1-5H
InChIKeyYIWZQKXOYXMFOE-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.50
Rot. Bonds

About 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole

2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole (PubChem CID 167123653) has the molecular formula C13H5Cl2NOS and a molecular weight of 294.16 g/mol. Its IUPAC name is 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole
PubChem CID167123653
Molecular FormulaC13H5Cl2NOS
Molecular Weight294.16 g/mol
Exact Mass292.95
IUPAC Name2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESClc1ccc2oc3ccc4sc(Cl)nc4c3c2c1
InChIInChI=1S/C13H5Cl2NOS/c14-6-1-2-8-7(5-6)11-9(17-8)3-4-10-12(11)16-13(15)18-10/h1-5H
InChIKeyYIWZQKXOYXMFOE-UHFFFAOYSA-N
XLogP5.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.16
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
2-chloro-8-dibenzothiophen-2-yldibenzofuran
CID 147232999
11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
CID 176795836
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2-(8-chlorodibenzofuran-1-yl)-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 153369338
8-chloro-[1]benzofuro[3,2-d]pyrimidine
CID 141392235
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol
CID 176647139
17-chloro-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146616841
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487

Frequently Asked Questions

What is the IUPAC name of 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole?
The IUPAC name of 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole (CID 167123653) is 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole is Clc1ccc2oc3ccc4sc(Cl)nc4c3c2c1.
What is the InChIKey of 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole?
The InChIKey is YIWZQKXOYXMFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2NOS/c14-6-1-2-8-7(5-6)11-9(17-8)3-4-10-12(11)16-13(15)18-10/h1-5H.
What are the key properties of 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole?
2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole has a molecular weight of 294.16 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 167123653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).