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Home Carboxys 1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid

1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid

CAS No.:
1289386-12-4
Catalog Number:
AG009I2G
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG009I2G
Chemical Name:
1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CAS Number:
1289386-12-4
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
MDL Number:
MFCD18837435
IUPAC Name:
1-(2-methylsulfanylpyrimidin-4-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C9H11N3O2S/c1-15-9-10-3-2-7(11-9)12-4-6(5-12)8(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChI Key:
DQGWZWULPMPHLN-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)N1CC(C1)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties