Home Carboxys Ethyl n-boc-2-thiomorpholinecarboxylate

Ethyl n-boc-2-thiomorpholinecarboxylate

CAS No.:
1346597-50-9
Catalog Number:
AG003QFX
Molecular Formula:
C12H21NO4S
Molecular Weight:
275.3644
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95%
In Stock USA
United States
$283
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Product Description
Catalog Number:
AG003QFX
Chemical Name:
Ethyl n-boc-2-thiomorpholinecarboxylate
CAS Number:
1346597-50-9
Molecular Formula:
C12H21NO4S
Molecular Weight:
275.3644
MDL Number:
MFCD20134213
IUPAC Name:
4-O-tert-butyl 2-O-ethyl thiomorpholine-2,4-dicarboxylate
InChI:
InChI=1S/C12H21NO4S/c1-5-16-10(14)9-8-13(6-7-18-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
AULIHHKCGONFAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.119g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.363g/mol
Monoisotopic Mass:
275.119g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties