Home Amines 1629-95-4
1629-95-4,MFCD00170187
Catalog No.:AA001TGA

1629-95-4 | 2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one

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1g
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in stock  
$82.00   $57.00
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5g
98%
in stock  
$220.00   $154.00
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25g
98%
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$808.00   $566.00
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100g
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$2,005.00   $1,404.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001TGA
Chemical Name:
2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one
CAS Number:
1629-95-4
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD00170187
SMILES:
O=C1CC(C)(C)Cc2c1sc(n2)N
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Ivanov,E.I.;Konup,I.P.;Konup,L.A.;Stepanov,D.E.;Grishchuk,L.V.;Vysotskaya,V.V.[PharmaceuticalChemistryJournal,1993,vol.27,#7,p.500-503][Khimiko-FarmatsevticheskiiZhurnal,1993,vol.27,#7,p.37-39]

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2010/122091,2010,A1Locationinpatent:Page/Pagecolumn14

[3]Haile,I.etal.[DokladyChemistry,1962,vol.146,p.851-853][DokladyAkademiiNaukSSSR,1962,vol.146,p.817-819]

[1]Mohan,J.;Pujari,H.K.[IndianJournalofChemistry,1975,vol.13,p.871-872]

[1]Roslan,IrwanIskandar;Ng,Kian-Hong;Gondal,MohammedAshraf;Basheer,Chanbasha;Dastageer,MohamedA.;Jaenicke,Stephan;Chuah,Gaik-Khuan[AdvancedSynthesisandCatalysis,2018,vol.360,#8,p.1584-1589]

[2]Mohan,J.;Pujari,H.K.[IndianJournalofChemistry,1975,vol.13,p.871-872]

[3]Haile,I.etal.[DokladyChemistry,1962,vol.146,p.851-853][DokladyAkademiiNaukSSSR,1962,vol.146,p.817-819]

[4]Ahluwalia,V.K.;Rao,J.Shailaja[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1989,vol.28,#1-11,p.81-82]

[5]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2010/122091,2010,A1Locationinpatent:Page/Pagecolumn12-13

[1]Haile,I.etal.[DokladyChemistry,1962,vol.146,p.851-853][DokladyAkademiiNaukSSSR,1962,vol.146,p.817-819]

[1]Albers,H.;Mohler,W.[ChemischeBerichte,1963,vol.96,p.357-362]

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
Tags:1629-95-4 Molecular Formula|1629-95-4 MDL|1629-95-4 SMILES|1629-95-4 2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one