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Home Halogens Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate

Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate

CAS No.:
61727-34-2
Catalog Number:
AG00EJY8
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$38
- +
10g
95%
In Stock USA
United States
$1438
- +
25g
95%
In Stock USA
United States
$2375
- +
Product Description
Catalog Number:
AG00EJY8
Chemical Name:
Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
CAS Number:
61727-34-2
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD11977460
IUPAC Name:
ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate
InChI:
InChI=1S/C9H11ClN2O2S/c1-3-14-7(13)4-6-5-11-9(15-2)12-8(6)10/h5H,3-4H2,1-2H3
InChI Key:
NJCDAOMVXVONIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cnc(nc1Cl)SC
NSC Number:
165400
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.709g/mol
Monoisotopic Mass:
246.023g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties