Tiazotic acid

Base Information

• Chemical Name: Tiazotic acid
• CAS No.: 64679-65-8
• Molecular Formula: C5H7N3O2S
• Molecular Weight: 173.195
• Hs Code.: 2933990090
• European Community (EC) Number: 813-419-6
• NSC Number: 78999
• UNII: YEZ00M9XKN
• DSSTox Substance ID: DTXSID40214967
• Wikidata: Q27294487
• NCI Thesaurus Code: C152605
• ChEMBL ID: CHEMBL1487672
• Mol file: 64679-65-8.mol

Synonyms:Tiazotic acid;64679-65-8;[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid;Tiazotic acid [INN];[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-(5-methyl-2h-1,2,4-triazol-3-ylthio)acetic acid;UNII-YEZ00M9XKN;YEZ00M9XKN;2-((5-METHYL-1H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID;MLS000736858;(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;MFCD01048979;NSC-78999;Tiazotic acid (INN);((5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl)acetic acid;2-((3-methyl-1H-1,2,4-triazol-5-yl)thio)acetic acid;2-[(5-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid;((5-methyl-4h-1,2,4-triazol-3-yl)thio)acetic acid;[(5-methyl-4h-1,2,4-triazol-3-yl)thio]acetic acid;NSC78999;BAS 00609135;[(5-METHYL-1H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID;ChemDiv2_003921;SCHEMBL6409061;TIAZOTIC ACID [WHO-DD];CHEMBL1487672;DTXSID40214967;2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-Bromo-4-methyl-pyridineN-oxide;HMS1380C05;HMS2754I12;BCP05379;MFCD03536501;NSC 78999;STK252255;AKOS000265865;AKOS005171556;AKOS022185087;MB02671;IDI1_002636;BS-38295;SMR000123134;BB 0237684;CS-0046801;FT-0679105;EN300-92725;D10852;AO-365/40208393;2-(5-methyl-1H-1,2,4-triazol-3-ylthio)acetic acid;Q27294487;(5-methyl-1h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid;Z1270207938;(5-Methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;(5-Methyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid;(5-methyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid;2-((5-METHYL-1H-1,2,4-TRIAZOL-3-YL)THIO)ACETICACID;(5-methyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, AldrichCPR

Chemical Property of Tiazotic acid

Chemical Property:

• Vapor Pressure: 2.3E-09mmHg at 25°C
• Melting Point: 226℃
• Refractive Index: 1.622
• Boiling Point: 462.84 °C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 233.717 °C
• PSA: 104.17000
• Density: 1.532 g/cm³
• LogP: 0.28980
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 173.02589765
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99.9% ^*data from raw suppliers

[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NN1)SCC(=O)O

Technology Process of Tiazotic acid

There total 3 articles about Tiazotic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,3-dihydro-5-methyl-1,2,4-triazole-3(1H)-thione (7271-44-5) + chloroacetic acid (79-11-8) → (5-methyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (64679-65-8)

Guidance literature:

Reference yield:

→ (5-methyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (64679-65-8)

Guidance literature:

3-Methyl-1,2,4-triazol-5-thion, Monochloressigsaeure / Na-Acetat;

DOI:10.1007/BF00488923

Reference yield:

→ (5-methyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (64679-65-8)

Guidance literature:

/BRN= 507585/, BrCH2COOC2H5, 10percent NaOH;

upstream raw materials:

2,3-dihydro-5-methyl-1,2,4-triazole-3(1H)-thione

chloroacetic acid

Downstream raw materials:

6-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-3-methyl-thiazolo[2,3-c][1,2,4]triazol-5-one

6-[1-(4-Diethylamino-phenyl)-meth-(Z)-ylidene]-3-methyl-thiazolo[2,3-c][1,2,4]triazol-5-one

6-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-3-methyl-thiazolo[2,3-c][1,2,4]triazol-5-one

6-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-3-methyl-thiazolo[2,3-c][1,2,4]triazol-5-one