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28856-92-0,MFCD01197948
Catalog No.:AA002WRG
28856-92-0 | Ethyl 2-(pyridin-2-ylthio)acetate
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250mg
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1 week  
$148.00   $104.00
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1g
97%
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$281.00   $197.00
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5g
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$815.00   $570.00
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25g
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  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002WRG
Chemical Name:
Ethyl 2-(pyridin-2-ylthio)acetate
CAS Number:
28856-92-0
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD01197948
IUPAC Name:
ethyl 2-pyridin-2-ylsulfanylacetate
InChI:
InChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChI Key:
HSXSCFBUTNCJFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1ccccn1
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
Ethyl 2-(pyridin-2-ylthio)acetate 
28856-92-0 
ethyl 2-(2-pyridylthio)acetate 
SCHEMBL14385817 
CTK0J1764 
DTXSID20424244 
HMS1605F20 
HMS2608G22 
ethyl (pyridin-2-ylsulfanyl)acetate 
ZINC6698756 
STK411010 
AKOS003240600 
(Pyridin-2-ylsulfanyl)-acetic acid ethyl ester 
(2-Pyridylthio)acetic acid ethyl ester 
Ethyl [(pyridin-2-yl)sulfanyl]acetate 
Ethyl 2-(pyridin-2-ylsulfanyl)acetate 
MCULE-2945728541 
AJ-56702 
AM100626 
SMR000297507 
ST24046813 
ST50870528 
(Pyridin-2-ylsulfanyl)acetic acid ethyl ester 
Acetic acid, 2-(2-pyridinylthio)-, ethyl ester 
Acetic acid, (2-pyridinylthio)-, ethyl ester 
Aceticacid, -,ethylester 
CID6464675 
Acetic acid, (2-pyridinylthio)-, ethyl ester (9CI) 
Ethyl 2-pyridin-2-ylsulfanylacetate 
AC1O5WIT 
MLS000679237 
ethoxycarbonylmethylthiopyridine 
ethyl (2-pyridinylthio)acetate 
CHEMBL1548275 
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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