1,2,5-Thiadiazole-3-carboxylic acid

Base Information

• Chemical Name: 1,2,5-Thiadiazole-3-carboxylic acid
• CAS No.: 13368-86-0
• Molecular Formula: C3H2N2O2S
• Molecular Weight: 130.127
• Hs Code.: 2934999090
• European Community (EC) Number: 874-961-7
• DSSTox Substance ID: DTXSID30362769
• Wikidata: Q82146167
• ChEMBL ID: CHEMBL247135
• Mol file: 13368-86-0.mol

Synonyms:1,2,5-thiadiazole-3-carboxylic acid;13368-86-0;1,2,5-Thiadiazole-3-carboxylicacid;[1,2,5]Thiadiazole-3-carboxylic acid;MFCD01334979;CHEMBL247135;SCHEMBL1656922;DTXSID30362769;STK727290;AKOS000520461;AKOS002664358;AB09086;CCG-358182;BS-12889;SY123045;BB 0254862;FT-0648372;EN300-42270;F16493;1,2,5-thiadiazole-3-carboxylic acid, AldrichCPR;A806663;F2169-0490;Z425800962

Chemical Property of 1,2,5-Thiadiazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000817mmHg at 25°C
• Melting Point: 89℃
• Refractive Index: 1.631
• Boiling Point: 292.8 °C at 760 mmHg
• Flash Point: 130.9 °C
• PSA: 91.32000
• Density: 1.67g/cm³
• LogP: 0.23630
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 129.98369848
• Heavy Atom Count: 8
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

1,2,5-Thiadiazole-3-carboxylic acid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NSN=C1C(=O)O

Technology Process of 1,2,5-Thiadiazole-3-carboxylic acid

There total 7 articles about 1,2,5-Thiadiazole-3-carboxylic 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: 94.8%

1,2,5-thiadiazole-3,4-dicarboxylic acid (3762-94-5) → 1,2,5-thiadiazole-3-carboxylic acid (13368-86-0)

Guidance literature:

at 180 ℃; for 0.5h;

Reference yield: 20.0%

benzo[1,2,5]thiadiazole (273-13-2,22706-22-5) → 1,2,5-thiadiazole-3-carboxylic acid (13368-86-0)

Guidance literature:

With potassium permanganate; In acetic acid; benzene; at 80 ℃; for 24h;

Reference yield: 20.0%

benzo[1,2,5]thiadiazole (273-13-2,22706-22-5) + 1,2,5-thiadiazole-3,4-dicarboxylic acid (3762-94-5) → 1,2,5-thiadiazole-3-carboxylic acid (13368-86-0)

Guidance literature:

benzo[1,2,5]thiadiazole; With potassium permanganate; In acetic acid; benzene; at 80 ℃; for 24h;

1,2,5-thiadiazole-3,4-dicarboxylic acid; at 180 ℃; thermal decarboxylation in vacuum;

upstream raw materials:

2,3-diaminopropanoic acid

3-vinyl-1,2,5-thiadiazole

1,2,5-thiadiazole-3,4-dicarboxylic acid

benzo[1,2,5]thiadiazole

Downstream raw materials:

tert-butyl (1,2,5-thiadiazol-3-yl)carbamate

2-fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-(1,2,5-thiadiazol-3-yl)-4,5-dihydro-1H-imidazol-4-yl]pyridine

(5S)-4-(4-fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-2-(1,2,5-thiadiazol-3-yl)-2-imidazoline

3-Chlorformyl-1,2,5-thiadiazol

Refernces

• 1、 -. "Method for preparing 1,2,3-thiadiazole-4-carboxylic acid". Paragraph 0019; 0026; 0027; 0028. . Retrieved 2017/04/22.
• 2、 -. "4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY". Page 42. . Retrieved 2010/02/07.