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3133-78-6,MFCD01830305
Catalog No.:AA003JNW

3133-78-6 | 3-Methylbenzo[b]thiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$6.00   $4.00
- +
1g
98%
in stock  
$16.00   $11.00
- +
5g
98%
in stock  
$77.00   $54.00
- +
25g
98%
in stock  
$379.00   $266.00
- +
100g
98%
in stock  
$1,515.00   $1,061.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JNW
Chemical Name:
3-Methylbenzo[b]thiophene-2-carboxylic acid
CAS Number:
3133-78-6
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD01830305
SMILES:
OC(=O)c1sc2c(c1C)cccc2
Properties
Properties
 
BP:
379.9 °C at 760 mmHg  
Form:
Solid  
MP:
241-244 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Shirleyetal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.3278]

[2]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[1]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[1]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[2]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[3]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[1]Lu,Pengfel;Sanchez,Carolina;Cornella,Josep;Larrosa,Igor[OrganicLetters,2009,vol.11,#24,p.5710-5713]

[2]Li,Zhaojie;Fu,Zhengjiang;Zhang,Haixia;Long,Jiao;Song,Yuanyuan;Cai,Hu[NewJournalofChemistry,2016,vol.40,#4,p.3014-3018]

[3]Ricci[AnnalidiChimica,1953,vol.43,p.323,328]

[1]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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