2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole

C19H11Cl2NS — CID 7966822

IUPAC2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
SMILESClc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1Cl
InChIInChI=1S/C19H11Cl2NS/c20-15-8-5-12(11-16(15)21)6-10-18-22-19-14-4-2-1-3-13(14)7-9-17(19)23-18/h1-11H/b10-6+
InChIKeySHCVOYVYQXQTFW-UXBLZVDNSA-N
MW356.28 g/mol
LogP6.93
Rot. Bonds2

About 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole

2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole (PubChem CID 7966822) has the molecular formula C19H11Cl2NS and a molecular weight of 356.28 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
PubChem CID7966822
Molecular FormulaC19H11Cl2NS
Molecular Weight356.28 g/mol
Exact Mass355.00
IUPAC Name2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
SMILESClc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1Cl
InChIInChI=1S/C19H11Cl2NS/c20-15-8-5-12(11-16(15)21)6-10-18-22-19-14-4-2-1-3-13(14)7-9-17(19)23-18/h1-11H/b10-6+
InChIKeySHCVOYVYQXQTFW-UXBLZVDNSA-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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Related Compounds

2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 3969786
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-chloro-6-methoxyphenol
CID 135763603
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]benzo[e][1,3]benzothiazole
CID 3403870
2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 92933975
2-[2-(4-phenoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 4238915
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]benzo[e][1,3]benzothiazole
CID 3940763
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethylphenol
CID 135591315
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966840
2-[(E)-2-(4-ethyl-3-nitrophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966836
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethoxyphenol
CID 135593938
2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
CID 58659825
2-[(E)-2-(3-nitro-4-pyrrolidin-1-ylphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 6107412

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
The IUPAC name of 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole (CID 7966822) is 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole.
What is the SMILES notation for 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
The canonical SMILES for 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole is Clc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1Cl.
What is the InChIKey of 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
The InChIKey is SHCVOYVYQXQTFW-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H11Cl2NS/c20-15-8-5-12(11-16(15)21)6-10-18-22-19-14-4-2-1-3-13(14)7-9-17(19)23-18/h1-11H/b10-6+.
What are the key properties of 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole?
2-[(E)-2-(3,4-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-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole is sourced from PubChem (CID 7966822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).