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10220-46-9,MFCD00022084
Catalog No.:AA0006SZ
10220-46-9 | Acetic acid, 2-mercapto-, octadecyl ester
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1g
50.0%
2 weeks  
$66.00   $46.00
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5g
50.0%
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$82.00   $57.00
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25g
50.0%
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$141.00   $99.00
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100g
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$299.00   $210.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0006SZ
Chemical Name:
Acetic acid, 2-mercapto-, octadecyl ester
CAS Number:
10220-46-9
Molecular Formula:
C20H40O2S
Molecular Weight:
344.5954
MDL Number:
MFCD00022084
IUPAC Name:
octadecyl 2-sulfanylacetate
InChI:
InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3
InChI Key:
JQTFPHLEQLLQOT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CS
EC Number:
233-533-4
NSC Number:
65478
Properties
Computed Properties
 
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.275g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
344.598g/mol
Monoisotopic Mass:
344.275g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1  

Synonyms
 
octadecyl mercaptoacetate 
octadecylmercaptoacetate 
octadecyl 2-sulfanylacetate 
C20H40O2S 
EINECS 233-533-4 
NSC 65478 
octade-cylmercaptoacetate 
ACMC-1BOYL 
n-octadecyl mercaptoacetate 
octadecyl 2-mercaptoacetate 
AC1L33GM 
AC1Q2W4V 
Octadecyl thioglycolate 
NCIOpen2_008040 
SCHEMBL1405571 
Thioglycolic Acid Stearyl Ester 
DTXSID1065005 
CTK4A0788 
JQTFPHLEQLLQOT-UHFFFAOYSA-N 
NSC65478 
6584AF 
ANW-14669 
MFCD00022084 
Stearyl thioglycolate 
NSC-65478 
AKOS015903613 
ZINC100005390 
MCULE-9137498075 
Acetic acid,2-mercapto-,octadecyl ester 
Acetic acid,2-mercapto-, octadecyl ester 
TC-103414 
I14-17766 
Acetic acid, octadecyl ester 
CID82462 
10220-46-9 
C20-H40-O2-S 
T0811 
Octadecyl mercaptoacetate 
Acetic acid, mercapto-, octadecyl ester 
Thioglycolic Acid Octadecyl Ester 
Mercaptoacetic Acid Octadecyl Ester 
Acetic acid, 2-mercapto-, octadecyl ester 
Literature

Title: Sugar binding induced charge translocation in the melibiose permease from Escherichia coli.

Journal: Biochemistry 20041005

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