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126231-22-9,MFCD03944846
Catalog No.:AA000SAS

126231-22-9 | 5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$132.00   $92.00
- +
1g
95%
in stock  
$245.00   $172.00
- +
5g
95%
in stock  
$597.00   $418.00
- +
10g
95%
in stock  
$1,009.00   $706.00
- +
25g
95%
in stock  
$2,504.00   $1,753.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000SAS
Chemical Name:
5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CAS Number:
126231-22-9
Molecular Formula:
C13H18O2S
Molecular Weight:
238.3458
MDL Number:
MFCD03944846
SMILES:
OC(=O)c1sc2c(c1)CC(CC2)C(C)(C)C
Properties
Computed Properties
 
Complexity:
282  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Gallagher,PeterT.;Owton,W.Martin[SyntheticCommunications,1989,vol.19,#15,p.2731-2736]

[1]Gallagher,PeterT.;Owton,W.Martin[SyntheticCommunications,1989,vol.19,#15,p.2731-2736]

[1]Gallagher,PeterT.;Owton,W.Martin[SyntheticCommunications,1989,vol.19,#15,p.2731-2736]

[1]Gallagher,PeterT.;Owton,W.Martin[SyntheticCommunications,1989,vol.19,#15,p.2731-2736]

Literature
Quotation Request
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Additional Info:
SDS
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Tags:126231-22-9 Molecular Formula|126231-22-9 MDL|126231-22-9 SMILES|126231-22-9 5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid