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28856-92-0

28856-92-0 | Acetic acid, 2-(2-pyridinylthio)-, ethyl ester

CAS No: 28856-92-0 Catalog No: AG002WU8 MDL No:MFCD01197948

Product Description

Catalog Number:
AG002WU8
Chemical Name:
Acetic acid, 2-(2-pyridinylthio)-, ethyl ester
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

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  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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