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4537-73-9,MFCD12093703
Catalog No.:AA00DIOD

4537-73-9 | Pyrimidine-2-carbothioamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$50.00   $35.00
- +
25g
98%
in stock  
$183.00   $128.00
- +
100g
98%
in stock  
$534.00   $374.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DIOD
Chemical Name:
Pyrimidine-2-carbothioamide
CAS Number:
4537-73-9
Molecular Formula:
C5H5N3S
Molecular Weight:
139.1783
MDL Number:
MFCD12093703
SMILES:
NC(=S)c1ncccn1
Properties
Properties
 
BP:
327.254°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
109  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.3  

Downstream Synthesis Route

[1]Hearn,BrianR.;Zhang,Dan;Li,Yong;Myles,DavidC.[OrganicLetters,2006,vol.8,#14,p.3057-3059]

[1]CurrentPatentAssignee:MINDIMMUNETHERAPEUTICS-WO2017/76825,2017,A1Locationinpatent:Page/Pagecolumn11-12

[2]CalderónOrtiz,LorenaK.;Würfel,Hendryk;Täuscher,Eric;Wei,Dieter;Birckner,Eckhard;Görls,Helmar;Beckert,Rainer[Synthesis,2014,vol.46,#1,p.126-134]

[3]CurrentPatentAssignee:MINDIMMUNETHERAPEUTICS-WO2009/12482,2009,A2Locationinpatent:Page/Pagecolumn96-97

[4]Menzel,Roberto;Kupfer,Stephan;Mede,Ralf;Weiss,Dieter;Goerls,Helmar;Gonzalez,Leticia;Beckert,Rainer[EuropeanJournalofOrganicChemistry,2012,#27,p.5231-5247]

[5]Sahin,Zafer;Ertas,Merve;Berk,Barkın;Biltekin,SevdeNur;Yurttas,Leyla;Demirayak,Seref[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1986-1995]

[6]Ertas,Merve;Sahin,Zafer;Bulbul,EmreF.;Bender,Ceysu;Biltekin,SevdeN.;Berk,Barkin;Yurttas,Leyla;Nalbur,AysuM.;Celik,Hayati;Demirayak,Şeref[ArchivderPharmazie,2019,vol.352,#11]

[1]Hopper,AllenT.;Juhl,Martin;Hornberg,Jorrit;Badolo,Lassina;Kilburn,JohnPaul;Thougaard,Annemette;Smagin,Gennady;Song,Dekun;Calice,Londye;Menon,Veena;Dale,Elena;Zhang,Hong;Cajina,Manuel;Nattini,MeganE.;Gandhi,Adarsh;Grenon,Michel;Jones,Ken;Khayrullina,Tanzilya;Chandrasena,Gamini;Thomsen,Christian;Zorn,StevinH.;Brodbeck,Robb;Poda,SureshBabu;Staal,Roland;Möller,Thomas[JournalofMedicinalChemistry,2021,vol.64,#8,p.4891-4902]

[2]CurrentPatentAssignee:MINDIMMUNETHERAPEUTICS-WO2009/12482,2009,A2Locationinpatent:Page/Pagecolumn97

[1]Menzel,Roberto;Kupfer,Stephan;Mede,Ralf;Weiss,Dieter;Goerls,Helmar;Gonzalez,Leticia;Beckert,Rainer[EuropeanJournalofOrganicChemistry,2012,#27,p.5231-5247]

Literature
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SDS
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Historical Records
758686-05-4

758686-05-4
Tags:4537-73-9 Molecular Formula|4537-73-9 MDL|4537-73-9 SMILES|4537-73-9 Pyrimidine-2-carbothioamide
Catalog No.: AA00DIOD
4537-73-9,MFCD12093703
4537-73-9 | Pyrimidine-2-carbothioamide
Pack Size： 1g
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 5g
Purity： 98%
in stock
$50.00 $35.00
Pack Size： 25g
Purity： 98%
in stock
$183.00 $128.00
Pack Size： 100g
Purity： 98%
in stock
$534.00 $374.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DIOD
Chemical Name: Pyrimidine-2-carbothioamide
CAS Number: 4537-73-9
Molecular Formula: C5H5N3S
Molecular Weight: 139.1783
MDL Number: MFCD12093703
SMILES: NC(=S)c1ncccn1
Properties
BP: 327.254°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 109  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.3  
Downstream Synthesis Route
905288-21-3    4537-73-9    905288-28-0 

[1]Hearn,BrianR.;Zhang,Dan;Li,Yong;Myles,DavidC.[OrganicLetters,2006,vol.8,#14,p.3057-3059]

14080-23-0    4537-73-9 

[1]CurrentPatentAssignee:MINDIMMUNETHERAPEUTICS-WO2017/76825,2017,A1Locationinpatent:Page/Pagecolumn11-12

[2]CalderónOrtiz,LorenaK.;Würfel,Hendryk;Täuscher,Eric;Wei,Dieter;Birckner,Eckhard;Görls,Helmar;Beckert,Rainer[Synthesis,2014,vol.46,#1,p.126-134]

[3]CurrentPatentAssignee:MINDIMMUNETHERAPEUTICS-WO2009/12482,2009,A2Locationinpatent:Page/Pagecolumn96-97

[4]Menzel,Roberto;Kupfer,Stephan;Mede,Ralf;Weiss,Dieter;Goerls,Helmar;Gonzalez,Leticia;Beckert,Rainer[EuropeanJournalofOrganicChemistry,2012,#27,p.5231-5247]

[5]Sahin,Zafer;Ertas,Merve;Berk,Barkın;Biltekin,SevdeNur;Yurttas,Leyla;Demirayak,Seref[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1986-1995]

[6]Ertas,Merve;Sahin,Zafer;Bulbul,EmreF.;Bender,Ceysu;Biltekin,SevdeN.;Berk,Barkin;Yurttas,Leyla;Nalbur,AysuM.;Celik,Hayati;Demirayak,Şeref[ArchivderPharmazie,2019,vol.352,#11]

363-58-6    4537-73-9    1104276-11-0 

[1]Hopper,AllenT.;Juhl,Martin;Hornberg,Jorrit;Badolo,Lassina;Kilburn,JohnPaul;Thougaard,Annemette;Smagin,Gennady;Song,Dekun;Calice,Londye;Menon,Veena;Dale,Elena;Zhang,Hong;Cajina,Manuel;Nattini,MeganE.;Gandhi,Adarsh;Grenon,Michel;Jones,Ken;Khayrullina,Tanzilya;Chandrasena,Gamini;Thomsen,Christian;Zorn,StevinH.;Brodbeck,Robb;Poda,SureshBabu;Staal,Roland;Möller,Thomas[JournalofMedicinalChemistry,2021,vol.64,#8,p.4891-4902]

[2]CurrentPatentAssignee:MINDIMMUNETHERAPEUTICS-WO2009/12482,2009,A2Locationinpatent:Page/Pagecolumn97

4691-72-9    4537-73-9    1416850-48-0 

[1]Menzel,Roberto;Kupfer,Stephan;Mede,Ralf;Weiss,Dieter;Goerls,Helmar;Gonzalez,Leticia;Beckert,Rainer[EuropeanJournalofOrganicChemistry,2012,#27,p.5231-5247]

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758686-05-4
758686-05-4
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