6-(bromomethyl)-7H-1,4$l^{5},7-imidazo[2,1-b][1,3$l^{5}]thiazol-4-ylium bromide|6-(Bromomethyl)-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide|6-(bromomethyl)-7H-1,4$l^{5},7-imidazo[2,1-b][1,3$l^{5}]th...

General Information

Structure

Molecular Formula

C₆H₆Br₂N₂S

Molecular Mass

297.99824

Exact Mass

295.8618432

Charge

InChI

InChI=1S/C6H5BrN2S.BrH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H

InChIKey

XINQGNGWQODEQU-UHFFFAOYSA-N

Canonic Smiles

BrCc1c[n+]2c([nH]1)scc2.[Br-]

Isomeric Smiles

[n+]12c([nH]c(c1)CBr)scc2.[Br-]

Calculated Properties

JChem

Acid pKa

2.2708082

H Acceptors

H Donor

LogD (pH = 5.5)

-2.1878319

LogD (pH = 7.4)

-2.1896532

Log P

-1.2748742

Molar Refractivity

56.5643

Polarizability

16.942312

Polar Surface Area

19.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

6-(bromomethyl)-7H-1,4$l^{5},7-imidazo[2,1-b][1,3$l^{5}]thiazol-4-ylium bromide

Synonyms

6-(Bromomethyl)-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide

IUPAC name

6-(bromomethyl)-7H-1,4$l^{5},7-imidazo[2,1-b][1,3$l^{5}]thiazol-4-ylium bromide

Names and Identifiers

Registration numbers

PubChem SID

162072286

PubChem CID

12022710

MDL Number

MFCD00832022

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:85170