CAS 1750-12-5|4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol|4-Amino-5-hydrazino-4H-1,2,4-triazole-3-thiol|4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol|4-氨基-5-肼基-1,2,4-三唑-3-硫醇|4-Amino-5-hydra...

General Information

Structure

Molecular Formula

C₂H₆N₆S

Molecular Mass

146.17424

Exact Mass

146.03746522

Charge

InChI

InChI=1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)

InChIKey

RDIMQHBOTMWMJA-UHFFFAOYSA-N

Canonic Smiles

Nn1c(NN)nnc1S

Isomeric Smiles

n1c(n(c(n1)S)N)NN

Calculated Properties

JChem

Acid pKa

7.4928493

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2321383

LogD (pH = 7.4)

-1.4621869

Log P

-1.2179251

Molar Refractivity

41.7869

Polarizability

13.135777

Polar Surface Area

94.78

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol

IUPAC name

4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol

Synonyms

4-Amino-5-hydrazino-4H-1,2,4-triazole-3-thiol4-Amino-3-hydrazino-5-mercapto-1,2,4-triazolePurpald®4-Amino-5-hydrazino-1,2,4-triazole-3-thiol4-氨基-5-肼基-1,2,4-三唑-3-硫醇4-氨基-3-肼基-5-巯基-1,2,4-三唑4-氨基-3-肼基-5-巯基-1,2,4-三唑4-Amino-3-hydrazino-1,2,4-triazole-5-thiol4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole4-amino-3-hydrazino-1,2,4-triazol-5-thiol4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol

Names and Identifiers

Registration numbers

MDL Number

EC Number

CAS Number

Beilstein Number

PubChem SID

2485001116206330024846146

PubChem CID

2723946

Registration numbers

Properties

Physical Property

228-230 °C (dec.)(lit.)

ca 220°C dec.

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

162892

Application
Reagent for the determination of aldehydes1 and other reactive chemicals.2 Derivatizes neutral monosaccharides in HPLC.3
Packaging
25, 100 g in poly bottle
5 g in glass bottle
Legal Information
Purpald is a registered trademark of Sigma-Aldrich Co. LLC

08095

Other Notes
A sensitive and specific reagent for aldehydes1
Legal Information
Purpald is a registered trademark of Sigma-Aldrich Co. LLC

Molecule Details

References

PubChem Literature

From Data Sources

• Reagent for the detection and classification of aldehydes: Chem. Commun., 1719 (1970); J. Chem. Educ., 55, 206 (1978). The reagent gives no color reaction with ketones.

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol

IUPAC name

4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol

Synonyms

Registration numbers

MDL Number

EC Number

CAS Number

Beilstein Number

PubChem SID

2485001116206330024846146

PubChem CID

2723946

Molecule Details

Sigma Aldrich

162892

08095

Other Notes
A sensitive and specific reagent for aldehydes1
Legal Information
Purpald is a registered trademark of Sigma-Aldrich Co. LLC

References

PubChem Literature

From Data Sources

• Reagent for the detection and classification of aldehydes: Chem. Commun., 1719 (1970); J. Chem. Educ., 55, 206 (1978). The reagent gives no color reaction with ketones.

Bioactivity

PubChem BioAssay

Properties

Physical Property

228-230 °C (dec.)(lit.)

ca 220°C dec.

Molecule

ID:58537