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64679-65-8,MFCD03247350
Catalog No.:AA00EDUC

64679-65-8 | [(3-Methyl-1h-1,2,4-triazol-5-yl)thio]acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98+%
2 weeks  
$264.00   $185.00
- +
500mg
>95%
2 weeks  
$592.00   $415.00
- +
1g
>95%
2 weeks  
$633.00   $443.00
- +
5g
97%
2 weeks  
$669.00   $468.00
- +
25g
>95%
2 weeks  
$2,725.00   $1,908.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EDUC
Chemical Name:
[(3-Methyl-1h-1,2,4-triazol-5-yl)thio]acetic acid
CAS Number:
64679-65-8
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
MDL Number:
MFCD03247350
SMILES:
OC(=O)CSc1n[nH]c(n1)C
NSC Number:
78999
Properties
Properties
 
BP:
384.1°C at 760 mmHg  
Form:
Solid  
MP:
226℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Knysh,E.G.;Mazur,I.A.;Zimenkovskii,B.S.;Smets,V.R.;Dunaev,VV.;Steblyuk,P.N.[PharmaceuticalChemistryJournal,1984,vol.18,#11,p.765-767][Khimiko-FarmatsevticheskiiZhurnal,1984,vol.18,#11,p.1324-1327]

[1]Knysh,E.G.;Mazur,I.A.;Zimenkovskii,B.S.;Smets,V.R.;Dunaev,VV.;Steblyuk,P.N.[PharmaceuticalChemistryJournal,1984,vol.18,#11,p.765-767][Khimiko-FarmatsevticheskiiZhurnal,1984,vol.18,#11,p.1324-1327]

[1]Knysh,E.G.;Mazur,I.A.;Zimenkovskii,B.S.;Smets,V.R.;Dunaev,VV.;Steblyuk,P.N.[PharmaceuticalChemistryJournal,1984,vol.18,#11,p.765-767][Khimiko-FarmatsevticheskiiZhurnal,1984,vol.18,#11,p.1324-1327]

[1]Knysh,E.G.;Mazur,I.A.;Zimenkovskii,B.S.;Smets,V.R.;Dunaev,VV.;Steblyuk,P.N.[PharmaceuticalChemistryJournal,1984,vol.18,#11,p.765-767][Khimiko-FarmatsevticheskiiZhurnal,1984,vol.18,#11,p.1324-1327]

64679-65-8    22706-11-2   
6-{5-methyl-4H-1,2,4-triazole-3-ylthio}methyl-3-phenyl-1,2,4triazolo3,4-b1,3,4thiadiazole 

[1]Sahi,Seema;Sodhi,RavinderpalKour;Jamwal,Babita;Paul,Satya[JournalofHeterocyclicChemistry,2018,vol.55,#7,p.1596-1603]

Literature

Title: Two polymorphs of morpholin-4-ium 2-(5-methyl-1H-1,2,4-triazol-3-ylsulfanyl)acetate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20090101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:64679-65-8 Molecular Formula|64679-65-8 MDL|64679-65-8 SMILES|64679-65-8 [(3-Methyl-1h-1,2,4-triazol-5-yl)thio]acetic acid