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Home Halogens tert-butyl 3-(6-chloro-2-(methylthio)pyrimidin-4-yl)azetidine-1-carboxylate

tert-butyl 3-(6-chloro-2-(methylthio)pyrimidin-4-yl)azetidine-1-carboxylate

CAS No.:
2007909-66-0
Catalog Number:
AG01DJTI
Molecular Formula:
C13H18ClN3O2S
Molecular Weight:
315.8189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
1g
95%
In Stock USA
United States
$1176
- +
5g
95%
In Stock USA
United States
$3528
- +
Product Description
Catalog Number:
AG01DJTI
Chemical Name:
tert-butyl 3-(6-chloro-2-(methylthio)pyrimidin-4-yl)azetidine-1-carboxylate
CAS Number:
2007909-66-0
Molecular Formula:
C13H18ClN3O2S
Molecular Weight:
315.8189
MDL Number:
MFCD28992221
IUPAC Name:
tert-butyl 3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)azetidine-1-carboxylate
InChI:
InChI=1S/C13H18ClN3O2S/c1-13(2,3)19-12(18)17-6-8(7-17)9-5-10(14)16-11(15-9)20-4/h5,8H,6-7H2,1-4H3
InChI Key:
HWQDAIAJOMIRQL-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)Cl)C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.081g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.816g/mol
Monoisotopic Mass:
315.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties