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63837-11-6,MFCD00603096
Catalog No.:AA00IB7L

63837-11-6 | 5-Bromo-2-methylbenzothiazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$12.00   $8.00
- +
1g
97%
in stock  
$15.00   $11.00
- +
5g
97%
in stock  
$54.00   $38.00
- +
10g
97%
in stock  
$100.00   $70.00
- +
25g
97%
in stock  
$199.00   $139.00
- +
100g
97%
in stock  
$756.00   $529.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IB7L
Chemical Name:
5-Bromo-2-methylbenzothiazole
CAS Number:
63837-11-6
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD00603096
SMILES:
Brc1ccc2c(c1)nc(s2)C
Properties
Properties
 
BP:
160 - 170 °C at 10 mmHg  
Form:
Solid  
MP:
77.8 - 78.4 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Upstream Synthesis Route

[1]Heterocycles,2011,vol.83,#6,p.1267-1274

[1]Patent:US2006/173183,2006,A1,.Locationinpatent:Page/Pagecolumn97

[1]Patent:US5576343,1996,A,

[1]AngewandteChemie-InternationalEdition,2017,vol.56,#43,p.13426-13430

[2]Angew.Chem.,2017,vol.129,p.13611-13615,5

[1]JournaloftheAmericanChemicalSociety,2012,vol.134,#36,p.14760-14763

[2]OrganicLetters,2011,vol.13,#18,p.4974-4976

[3]JournaloftheAmericanChemicalSociety,2010,vol.132,#40,p.14076-14078

Downstream Synthesis Route

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn96-97

[2]JournalofMedicinalChemistry,1991,vol.34,p.108-122

[3]JournalofMedicinalChemistry,2010,vol.53,p.3927-3936

[4]Patent:US2013/237502,2013,A1.Locationinpatent:Paragraph0314

[1]JournalofMedicinalChemistry,1991,vol.34,p.108-122

[1]JournalofMedicinalChemistry,1991,vol.34,p.108-122

63837-11-6    178419-47-1   
(R)-3'-(2-methylbenzothiazol-5-yl)spiro1-azabicyclo2.2.2octane-3,5'-oxazolidin-2'-one 

[1]JournalofMedicinalChemistry,2006,vol.49,p.4374-4383

[1]OrganicLetters,2019,vol.21,p.8158-8163

[2]Patent:US2007/78133,2007,A1.Locationinpatent:Page/Pagecolumn29

[3]JournaloftheAmericanChemicalSociety,2014,vol.136,p.4287-4299

[4]Patent:WO2017/197046,2017,A1.Locationinpatent:Page/Pagecolumn331

[5]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2987-2991

[6]Patent:WO2007/150010,2007,A2.Locationinpatent:Page/Pagecolumn70-71

[7]ChemMedChem,2019,vol.14,p.169-181

[8]Patent:KR2019/109007,2019,A.Locationinpatent:Paragraph0231-0233

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:63837-11-6 Molecular Formula|63837-11-6 MDL|63837-11-6 SMILES|63837-11-6 5-Bromo-2-methylbenzothiazole
Catalog No.: AA00IB7L
63837-11-6,MFCD00603096
63837-11-6 | 5-Bromo-2-methylbenzothiazole
Pack Size： 250mg
Purity： 97%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 97%
in stock
$15.00 $11.00
Pack Size： 5g
Purity： 97%
in stock
$54.00 $38.00
Pack Size： 10g
Purity： 97%
in stock
$100.00 $70.00
Pack Size： 25g
Purity： 97%
in stock
$199.00 $139.00
Pack Size： 100g
Purity： 97%
in stock
$756.00 $529.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IB7L
Chemical Name: 5-Bromo-2-methylbenzothiazole
CAS Number: 63837-11-6
Molecular Formula: C8H6BrNS
Molecular Weight: 228.1089
MDL Number: MFCD00603096
SMILES: Brc1ccc2c(c1)nc(s2)C
Properties
BP: 160 - 170 °C at 10 mmHg  
Form: Solid  
MP: 77.8 - 78.4 °C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 153  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Upstream Synthesis Route
120-75-2    63837-11-6    5304-21-2    112146-10-8 

[1]Heterocycles,2011,vol.83,#6,p.1267-1274

63837-11-6    557-21-1    90418-93-2 

[1]Patent:US2006/173183,2006,A1,.Locationinpatent:Page/Pagecolumn97

63837-11-6    90418-93-2 

[1]Patent:US5576343,1996,A,

63837-11-6    124-38-9    584-08-7    24851-69-2 

[1]AngewandteChemie-InternationalEdition,2017,vol.56,#43,p.13426-13430

[2]Angew.Chem.,2017,vol.129,p.13611-13615,5

398132-82-6    63837-11-6 

[1]JournaloftheAmericanChemicalSociety,2012,vol.134,#36,p.14760-14763

[2]OrganicLetters,2011,vol.13,#18,p.4974-4976

[3]JournaloftheAmericanChemicalSociety,2010,vol.132,#40,p.14076-14078

Downstream Synthesis Route
63837-11-6    110704-13-7 

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn96-97

[2]JournalofMedicinalChemistry,1991,vol.34,p.108-122

[3]JournalofMedicinalChemistry,2010,vol.53,p.3927-3936

[4]Patent:US2013/237502,2013,A1.Locationinpatent:Paragraph0314

29452-12-8    63837-11-6    110704-32-0 

[1]JournalofMedicinalChemistry,1991,vol.34,p.108-122

110704-51-3    63837-11-6 

[1]JournalofMedicinalChemistry,1991,vol.34,p.108-122

63837-11-6    178419-47-1   
(R)-3'-(2-methylbenzothiazol-5-yl)spiro1-azabicyclo2.2.2octane-3,5'-oxazolidin-2'-one 

[1]JournalofMedicinalChemistry,2006,vol.49,p.4374-4383

63837-11-6    73183-34-3    791614-90-9 

[1]OrganicLetters,2019,vol.21,p.8158-8163

[2]Patent:US2007/78133,2007,A1.Locationinpatent:Page/Pagecolumn29

[3]JournaloftheAmericanChemicalSociety,2014,vol.136,p.4287-4299

[4]Patent:WO2017/197046,2017,A1.Locationinpatent:Page/Pagecolumn331

[5]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2987-2991

[6]Patent:WO2007/150010,2007,A2.Locationinpatent:Page/Pagecolumn70-71

[7]ChemMedChem,2019,vol.14,p.169-181

[8]Patent:KR2019/109007,2019,A.Locationinpatent:Paragraph0231-0233

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