Home Carboxys tert-Butyl thiomorpholine-4-carboxylate

tert-Butyl thiomorpholine-4-carboxylate

CAS No.:
215791-95-0
Catalog Number:
AG00CG3B
Molecular Formula:
C9H17NO4S
Molecular Weight:
235.3006
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Product Description
Catalog Number:
AG00CG3B
Chemical Name:
tert-Butyl thiomorpholine-4-carboxylate
CAS Number:
215791-95-0
Molecular Formula:
C9H17NO4S
Molecular Weight:
235.3006
MDL Number:
MFCD21106368
IUPAC Name:
tert-butyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
InChI:
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-4-6-15(12,13)7-5-10/h4-7H2,1-3H3
InChI Key:
UPIBPNFZLMUGQX-UHFFFAOYSA-N
SMILES:
O=C(N1CCS(=O)(=O)CC1)OC(C)(C)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.298g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties