2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole

C19H11Cl2NS — CID 3969786

IUPAC2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
SMILESClc1cccc(Cl)c1C=Cc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C19H11Cl2NS/c20-15-6-3-7-16(21)14(15)9-11-18-22-19-13-5-2-1-4-12(13)8-10-17(19)23-18/h1-11H
InChIKeyGGTUAJCPYGDCAM-UHFFFAOYSA-N
MW356.28 g/mol
LogP6.93
Rot. Bonds2

About 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole

2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole (PubChem CID 3969786) has the molecular formula C19H11Cl2NS and a molecular weight of 356.28 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
PubChem CID3969786
Molecular FormulaC19H11Cl2NS
Molecular Weight356.28 g/mol
Exact Mass355.00
IUPAC Name2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
SMILESClc1cccc(Cl)c1C=Cc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C19H11Cl2NS/c20-15-6-3-7-16(21)14(15)9-11-18-22-19-13-5-2-1-4-12(13)8-10-17(19)23-18/h1-11H
InChIKeyGGTUAJCPYGDCAM-UHFFFAOYSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.28
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole (CID 3969786) is 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole is Clc1cccc(Cl)c1C=Cc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
The InChIKey is GGTUAJCPYGDCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NS/c20-15-6-3-7-16(21)14(15)9-11-18-22-19-13-5-2-1-4-12(13)8-10-17(19)23-18/h1-11H.
What are the key properties of 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole has a molecular weight of 356.28 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole is sourced from PubChem (CID 3969786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).