4005-51-0

Basic information

• Product Name: 2-Amino-1,3,4-thiadiazole
• Synonyms: 2-Aminothiadiazole;4-thiadiazole,2-amino-3;aminothiadazole;Aminothiadiazole;FDA 0084;NSC 4728;nsc4728;TF 128
• CAS NO: 4005-51-0
• Molecular Formula: C₂H₃N₃S
• Molecular Weight: 101.13
• EINECS: 223-657-7
• Product Categories: VARIOUSAMINE;Amines;Oxadiazoles & Thiadiazoles;Thiazole;API intermediates;Oxadiazoles & Thiadiazoles;Aromatic;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 4005-51-0.mol
• Article Data: 27

Chemical Properties

• Melting Point: 181-182 °C
• Boiling Point: 238.9 °C at 760 mmHg
• Flash Point: 98.3 °C
• Appearance: White to light yellow/Crystals or Crystalline Powder
• Density: 1.385 (estimate)
• Refractive Index: 1.5800 (estimate)
• Storage Temp.: Refrigerator
• Solubility: water: soluble25mg/mL, clear, colorless
• PKA: pKa 3.2 (Uncertain)
• Water Solubility: It is soluble in water, hot methanol- very faint turbidity.
• BRN: 107135
• CAS DataBase Reference: 2-Amino-1,3,4-thiadiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Amino-1,3,4-thiadiazole(4005-51-0)
• EPA Substance Registry System: 2-Amino-1,3,4-thiadiazole(4005-51-0)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 68-63-36/37/38-20/21/22-22
• Safety Statements: 36/37/39-26-36
• RIDADR: 2811
• WGK Germany: 3
• RTECS: XI3000000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 4005-51-0(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powde

Uses

Different sources of media describe the Uses of 4005-51-0 differently. You can refer to the following data:
1. A thiadiazole derivative with fungacidal properties. An antitumor agent.
2. 2-Amino-1,3,4-thiadiazole, is used as an intermediate for ceftraoline.

General Description

2-Amino-1,3,4-thiadiazole (donor) form charge transfer complexes with 2,3-dichloro-5,6-dicyano-p-benzoquinone, p-chloranil, o-chloranil, p-bromanil and chloranilic acid (acceptors). Effects of 2-amino-1,3,4-thiadiazole [aminothiadiazole (NSC 4728)] on purine and pyrimidine ribonucleotide pools of L1210 ascites cells in vivo has been reported.

Safety Profile

Poison by subcutaneous andintraperitoneal routes. An experimental teratogen. Otherexperimental reproductive effects. When heated todecomposition it emits very toxic fumes of NOx and SOx.

InChI:InChI=1/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)

Upstream product

• 5393-55-5 2-acetylamino-1,3,4-thiadiazole 
• 115271-89-1 1-(4-methoxy-anilinomethylene)-thiosemicarbazide 
• 44234-35-7 formimidic acid ethyl ester 
• 79-19-6 thiosemicarbazide 
• 122-51-0 orthoformic acid triethyl ester 
• 2302-84-3 1-formylthiosemicarbazide 
• 75-36-5 acetyl chloride 
• 34005-36-2 carboxaldehyde semicarbazide 
• 56951-58-7 2-amino-5-hydroxymethyl-1,3,4-thiadiazole 
• 108-33-8 5-methyl-1,3,4-thiadiazol-2-amine 
• 26334-28-1 Thiosemicarbazono-methan 
• 134224-39-8 5-Imino-6H-<1,3,4>thiadiazolo<3,2-a>pyrimidin-7-one 
• 26861-95-0 N-(1,3,4-thiadiazol-2-yl)benzamide 
• 2349-67-9 2-Amino-5-mercapto-1,3,4-thiadiazole 

Downstream Products

• 26907-49-3 N-(1,3,4-thiadiazol-2-yl)benzene sulfonamide 
• 3179-31-5 2,3-dihydro-1H-1,2,4-triazole-3-thione 
• 146374-13-2 3-nitro-benzenesulfonic acid-[1,3,4]thiadiazol-2-ylamide 
• 16806-29-4 Sulfathiadiazole 
• 6880-66-6 N-(4-(N-(1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide 
• 52819-57-5 2-chloro-1,3,4-thiadiazole 
• 26947-66-0 2-Nitramino-1,3,4-thiadiazol 
• 91260-06-9 2-(2-tienil)-3-<2-(1,3,4-tiadiazolil)>-4-tiazolidinone 
• 91260-07-0 2-(3-tienil)-3-<2-(1,3,4-tiadiazolil)>-4-tiazolidinone 
• 106145-92-0 2-(2-clorofenil)-3-<2-(1,3,4-tiadiazolil)>-4-tiazolidinone 
• 105248-22-4 1-(2,6-diclorofenil)-N,N'-di<2-(1,3,4-tiadiazolil)>metilendiamina 
• 107125-29-1 N-(1,3,4-thiadiazol-2-yl)benzoylacetamide 
• 41148-11-2 1-[1,3,4]thiadiazol-2-yl-3-(toluene-4-sulfonyl)-urea 
• 4447-43-2 2-<2-Hydroxy-benzolamino>-1,3,4-thiadiazol 

Relevant articles and documents

Antitumor activity of 2-acylamino-1,3,4-thiadiazoles and related compounds

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Diazole heterocyclic compound and preparation method and application thereof

The invention relates to the technical field of pesticides, in particular to a diazole heterocyclic compound and a preparation method and application thereof. The diazole heterocyclic compound has anexcellent prevention and treatment effect on plant diseases such as plutella xylostella, myzus persicae and tetranychus urticae, and particularly has a remarkable prevention and treatment effect on plutella xylostella. The compound can be used for preparing insecticides in the fields of agriculture, horticulture and the like and developing novel insecticides without cross resistance, and has goodresearch value and market development prospect.

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Multifaceted roles of vascular endothelial growth factor (VEGF)-neuropilin-1 (NRP1) interaction have been implicated in cancer, but reports on small-molecule inhibitors of VEGF-NRP1 interaction are scarce. Herein, we describe the identification of 1, a novel nonpeptide small-molecule NRP1 antagonist with moderate activity via structure-based virtual screening. Ensemble docking and molecular dynamics (MD) simulations of 1 were carried out and an interesting binding model was obtained. We found that the “aromatic box” enclosed by Tyr297, Trp301 and Tyr353 of NRP1 is critical for NRP1-1 binding. Further structure modification of 1 based on the binding model derived from MD simulations resulted in the identification of 12a with significantly improved activity.