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6285-57-0,MFCD00005786
Catalog No.:AA003N8K

6285-57-0 | 2-Amino-6-nitrobenzothiazole

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Purity
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1g
98%(HPLC)
in stock  
$24.00   $17.00
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5g
99%
in stock  
$65.00   $45.00
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25g
98%(HPLC)
in stock  
$229.00   $160.00
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100g
98%(HPLC)
in stock  
$785.00   $549.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003N8K
Chemical Name:
2-Amino-6-nitrobenzothiazole
CAS Number:
6285-57-0
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD00005786
SMILES:
Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
UN Number:
2811
Properties
Properties
 
BP:
411.7°C at 760 mmHg  
Form:
Solid  
MP:
247-249 °C  
Refractive Index:
1.6740 (estimate)  
Storage:
Inert atmosphere;Room Temperature;Light sensitive;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.1  

Upstream Synthesis Route

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[1]YakugakuZasshi,1942,vol.62,p.47,51;dtsch.Ref.S.19,22

[2]Chem.Abstr.,1951,p.609

[1]YakugakuZasshi,1942,vol.62,p.47,51;dtsch.Ref.S.19,22

[2]Chem.Abstr.,1951,p.609

[3]YakugakuZasshi,1942,vol.62,p.47,51;dtsch.Ref.S.19,22

[4]Chem.Abstr.,1951,p.609

[5]JournalofHeterocyclicChemistry,1992,vol.29,#5,p.1069-1076

[1]Synlett,2012,vol.23,#15,p.2219-2222

[2]ResearchonChemicalIntermediates,2016,vol.42,#12,p.7855-7868

[3]EuropeanJournalofMedicinalChemistry,2008,vol.43,#5,p.1114-1122

[4]EuropeanJournalofMedicinalChemistry,2012,vol.53,p.41-51

[5]RussianJournalofAppliedChemistry,2015,vol.88,#12,p.2065-2073

[6]Zh.Prikl.Khim.(S.-Peterburg,Russ.Fed.),

[7]ArchivderPharmazie,2015,vol.348,#4,p.254-265

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[3]EuropeanJournalofOrganicChemistry,2011,#31,p.6206-6217

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[5]JournalofEnzymeInhibitionandMedicinalChemistry,2011,vol.26,#4,p.527-534

[6]EuropeanJournalofMedicinalChemistry,2016,vol.115,p.352-360

[7]EuropeanJournalofMedicinalChemistry,2018,vol.148,p.477-486

[8]InternationalJournalofPharmacyandPharmaceuticalSciences,2018,vol.10,#10,p.57-61

Downstream Synthesis Route

[1]HelveticaChimicaActa,1980,vol.63,p.682-692

[2]ChineseChemicalLetters,2010,vol.21,p.554-557

[3]RussianJournalofOrganicChemistry,2020,vol.56,p.327-331    Zh.Org.Khim.,2020

[4]JournaloftheChemicalSociety,1930,p.2190,2209

[5]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.6206-6209

[1]Mehanna,WesamE.;Lu,Tiangong;Debnath,Bikash;Lasheen,DeenaS.;Serya,RabahA.T.;Abouzid,KhaledA.;Neamati,Nouri[ChemMedChem,2017,vol.12,#13,p.1045-1054]

[2]Sadhasivam,Gnanavel;Kulanthai,Kannan;Natarajan,Adhirajan[OrientalJournalofChemistry,2015,vol.31,#2,p.819-826]

[3]CurrentPatentAssignee:KOREAINSTITUTEOFSCIENCEANDTECHNOLOGY-KR2020/76655,2020,ALocationinpatent:Paragraph1221;1223-1225

[4]Rothweiler,Ulli;Stensen,Wenche;Brandsdal,BjørnOlav;Isaksson,Johan;Leeson,FrederickAlan;Engh,RichardAlan;Svendsen,JohnS.Mjøen[JournalofMedicinalChemistry,2016,vol.59,#21,p.9814-9824]

[5]Hunter;Jones[JournaloftheChemicalSociety,1930,p.2190,2209]Bhargava;Baliga[JournaloftheIndianChemicalSociety,1958,vol.35,p.807,808]

[6]Locationinpatent:schemeortablePandeya;Yadav,MeenaK.;Mishra,Vaishali;Srivastava,Shobhit;Singh,BalKrishna[AsianJournalofChemistry,2011,vol.23,#7,p.3003-3007]

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[5]JournaloftheIndianChemicalSociety,1958,vol.35,p.807,808

[6]Patent:US2009/170914,2009,A1.Locationinpatent:Page/Pagecolumn19

[1]ChemMedChem,2020,vol.15,p.265-269

[2]Patent:US2009/233949,2009,A1.Locationinpatent:Page/Pagecolumn10

[3]JournalofMedicinalChemistry,2016,vol.59,p.8941-8954

[4]MolecularPharmacology,2008,vol.74,p.925-932

[5]JournalofPharmaceuticalSciences,1994,vol.83,p.1425-1432

[6]Patent:WO2004/14885,2004,A1.Locationinpatent:Page28

[7]ArchivderPharmazie,1935,p.31,48

[8]ZhurnalObshcheiKhimii,1937,vol.7,p.1668,1673    ChemischesZentralblatt,1937,vol.108,p.3604

[9]Antimicrobialagentsandchemotherapy,2002,vol.46,p.2588-2594

[10]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2540-2544

[11]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.6206-6209

[12]Patent:US2009/170914,2009,A1.Locationinpatent:Page/Pagecolumn19

[13]ChineseChemicalLetters,2010,vol.21,p.554-557

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[15]DaltonTransactions,2015,vol.44,p.17453-17461

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1942,vol.62,p.47,51;dtsch.Ref.S.19,22    Chem.Abstr.,1951,p.609

[2]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1942,vol.62,p.47,51;dtsch.Ref.S.19,22    Chem.Abstr.,1951,p.609

[3]JournalofHeterocyclicChemistry,1992,vol.29,p.1069-1076

Literature

Title: 2-Amino-6-nitro-1,3-benzothia-zol-3-ium hydrogen sulfate.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

Title: Hydrogen bonding in nitroaniline analogues: a three-dimensional framework in 2-amino-6-nitro-1,3-benzothiazole.

Journal: Acta crystallographica. Section C, Crystal structure communications 20011001

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