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4100-13-4,MFCD00052099
Catalog No.:AA003D7X

4100-13-4 | 1,2,3-Thiadiazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$13.00   $9.00
- +
1g
95%
in stock  
$22.00   $15.00
- +
2g
95%
in stock  
$43.00   $30.00
- +
5g
95%
in stock  
$91.00   $64.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003D7X
Chemical Name:
1,2,3-Thiadiazole-4-carboxylic acid
CAS Number:
4100-13-4
Molecular Formula:
C3H2N2O2S
Molecular Weight:
130.1252
MDL Number:
MFCD00052099
SMILES:
OC(=O)c1csnn1
NSC Number:
521674
Properties
Properties
 
BP:
322.3°C at 760 mmHg  
Form:
Solid  
MP:
224 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
108  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.3  

Downstream Synthesis Route

[1]JournalofAgriculturalandFoodChemistry,2005,vol.53,p.3872-3876

[2]Patent:US2827457,1957,

[3]JournaloftheChemicalSociety,1965,p.5166-5176

[4]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2929-2932

[1]JournaloftheAmericanChemicalSociety,1955,vol.77,p.5359,5363

[1]JournaloftheAmericanChemicalSociety,1955,vol.77,p.5359,5363

5-furan-2-yl-1,2,3thiadiazole-4-carboxylicacid 
  4100-13-4 

[1]JournalofHeterocyclicChemistry,1965,vol.2,p.348-354

[1]Patent:WO2018/67786,2018,A1.Locationinpatent:Page/Pagecolumn140

[2]JournaloftheChemicalSociety,1965,p.5166-5176

Literature

Title: Agonist lead identification for the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20070901

Title: Attempted reduction of 1,2,3-thiadiazole-4-carboxylates with samarium/iodine in methanol. Unexpected ring enlargement to 1,2,5-trithiepan-4,6-dicarboxylates.

Journal: Organic & biomolecular chemistry 20041007

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SDS
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Tags:4100-13-4 Molecular Formula|4100-13-4 MDL|4100-13-4 SMILES|4100-13-4 1,2,3-Thiadiazole-4-carboxylic acid