CAS 91366-65-3|4-(Aminosulphonyl)-7-fluoro-2,1,3-benzoxadiazole|7-Fluoro-2,1,3-benzoxadiazole-4-sulphonamide|7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide|7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide|4...

General Information

Structure

Molecular Formula

C₆H₄FN₃O₃S

Molecular Mass

217.1776632

Exact Mass

216.99574022

Charge

InChI

InChI=1S/C6H4FN3O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)

InChIKey

XROXHZMRDABMHS-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c2c1non2)S(=O)(=O)N

Isomeric Smiles

o1nc2c(n1)c(ccc2S(=O)(=O)N)F

Calculated Properties

JChem

Acid pKa

8.418635

H Acceptors

H Donor

LogD (pH = 5.5)

0.07153747

LogD (pH = 7.4)

0.036988888

Log P

0.07200121

Molar Refractivity

44.5091

Polarizability

18.164114

Polar Surface Area

99.08

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-(Aminosulphonyl)-7-fluoro-2,1,3-benzoxadiazole7-Fluoro-2,1,3-benzoxadiazole-4-sulphonamide4-(Aminosulfonyl)-7-fluorobenzofurazane4-Fluoro-7-sulfamoylbenzofurazan7-Fluoro-2,1,3-benzoxadiazole-4-sulfonamideABD-F4-Fluoro-7-sulfamoylbenzofurazan;4-(Aminosulfonyl)-7-fluorobenzofurazane7-FLUORO-2,1,3-BENZOXA-DIAZOLE-4-SULFONAMIDE7-Fluorobenzofurazan-4-sulfonamide4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole7-氟苯呋咱-4-硫氨4-Fluoro-7-sulfamoylbenzofurazan7-Fluorobenzofurazan-4-sulfonamide

IUPAC name

7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide

IUPAC Traditional name

7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Certificate of Analysis

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Grade

for fluorescence

Empirical Formula (Hill Notation)

C6H4FN3O3S

Purity

98%

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC8114

A water soluble bifunctional fluorogenic reagent for the sensitive & specific detection of thiols.

MP Biomedicals

02158090

Reagent for fluorimetric assay of thiols.

Sigma Aldrich

F3639

Application
Reagent for fluorimetric assay of thiols.

17385

Other Notes
Fluorogenic reagent for the labeling of thiols for HPLC; it reacts 30 times faster than SBD-F1,2

TRC

A629400

A water soluble pH dependent bifunctional fluorogenic reagent for the sensitive and specific detection of protein thiols. ABD-F is highly reactive and specific for protein thiols, and its selectivity is superior to that of other sulfhydryl-reactive fluor

Molecule Details

References

PubChem Literature

From Data Sources

• Toyooka, T. and Imai, K., Anal. Chem., 56: 2461 (1984).

• Tukushima, T., et al.: Biomed. Chromatogr., 9, 10 (1993)

• Hiratsuka., T.,: J. Biol. Chem., 268, 24742 (1993)

• Treuheit, M.J., et al.: Anal. Biochem., 212, 138 (1993)

• Takeda., S., et al.: Trans. Mater. Res. Soc. Jpn., 15A, 509 (1993)

• Takeda., S., et al.:

References

Bioactivity