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121068-32-4,MFCD00980479
Catalog No.:AA0080MN

121068-32-4 | 5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$154.00   $108.00
- +
1g
95%
in stock  
$297.00   $208.00
- +
5g
95%
in stock  
$964.00 $675.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0080MN
Chemical Name:
5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CAS Number:
121068-32-4
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD00980479
SMILES:
Nc1nnc(s1)COc1ccccc1
Properties
Computed Properties
 
Complexity:
175  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Downstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.357-363

[1]Li,Zheng;Yu,Jin-Lan;Yang,Jing-Ya;Shi,Sheng-Yi;Wang,Xi-Cun[JournalofChemicalResearch,2005,#5,p.341-343]

[2]Li,Zheng;Yu,Jin-Lan;Yang,Jing-Ya;Zhu,Wei;Zhao,Yan-Long;Xing,Yu-Lin;Wang,Xi-Cun[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#1,p.183-190]

[3]Locationinpatent:experimentalpartAzam,M.Afzal;Suresh,Bhojraj;Kalsi,SandipS.;Antony,A.Shinesh[SouthAfricanJournalofChemistry,2010,vol.63,p.114-122]

[4]Gadomsky,SvyatoslavY.;Kokovina,TatianaS.;Sanina,NataliyaA.;Terentiev,AlexeiA.[Molecules,2021,vol.26,#17]

[5]Locationinpatent:schemeortableWang,XiCun;Ding,XiaoMei;Wang,ShengQing;Chen,XueFei;Quan,ZhengJun[ChineseChemicalLetters,2010,vol.21,#3,p.301-304]

[6]Joshi,ShrinivasD.;More,UttamA.;Koli,Deepshikha;Kulkarni,ManojS.;Nadagouda,MallikarjunaN.;Aminabhavi,TejrajM.[BioorganicChemistry,2015,vol.59,p.151-167]

[7]Lim,ChaeJo;Jang,JuYoung;Kim,SungHwan;Lee,ByungHo;Oh,Kwang-Seok;Yi,KyuYang[BulletinoftheKoreanChemicalSociety,2015,vol.36,#10,p.2549-2552]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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:121068-32-4 Molecular Formula|121068-32-4 MDL|121068-32-4 SMILES|121068-32-4 5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
Catalog No.: AA0080MN
121068-32-4,MFCD00980479
121068-32-4 | 5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
Pack Size： 250mg
Purity： 95%
in stock
$154.00 $108.00
Pack Size： 1g
Purity： 95%
in stock
$297.00 $208.00
Pack Size： 5g
Purity： 95%
in stock
$964.00 $675.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0080MN
Chemical Name: 5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CAS Number: 121068-32-4
Molecular Formula: C9H9N3OS
Molecular Weight: 207.2523
MDL Number: MFCD00980479
SMILES: Nc1nnc(s1)COc1ccccc1
Properties
Complexity: 175  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Downstream Synthesis Route
3598-14-9    79-19-6    121068-32-4 

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.357-363

79-19-6    122-59-8    121068-32-4 

[1]Li,Zheng;Yu,Jin-Lan;Yang,Jing-Ya;Shi,Sheng-Yi;Wang,Xi-Cun[JournalofChemicalResearch,2005,#5,p.341-343]

[2]Li,Zheng;Yu,Jin-Lan;Yang,Jing-Ya;Zhu,Wei;Zhao,Yan-Long;Xing,Yu-Lin;Wang,Xi-Cun[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#1,p.183-190]

[3]Locationinpatent:experimentalpartAzam,M.Afzal;Suresh,Bhojraj;Kalsi,SandipS.;Antony,A.Shinesh[SouthAfricanJournalofChemistry,2010,vol.63,p.114-122]

[4]Gadomsky,SvyatoslavY.;Kokovina,TatianaS.;Sanina,NataliyaA.;Terentiev,AlexeiA.[Molecules,2021,vol.26,#17]

[5]Locationinpatent:schemeortableWang,XiCun;Ding,XiaoMei;Wang,ShengQing;Chen,XueFei;Quan,ZhengJun[ChineseChemicalLetters,2010,vol.21,#3,p.301-304]

[6]Joshi,ShrinivasD.;More,UttamA.;Koli,Deepshikha;Kulkarni,ManojS.;Nadagouda,MallikarjunaN.;Aminabhavi,TejrajM.[BioorganicChemistry,2015,vol.59,p.151-167]

[7]Lim,ChaeJo;Jang,JuYoung;Kim,SungHwan;Lee,ByungHo;Oh,Kwang-Seok;Yi,KyuYang[BulletinoftheKoreanChemicalSociety,2015,vol.36,#10,p.2549-2552]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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 Cytology20060501

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