Home Carboxys 3-[(tert-butoxy)carbonyl]-1,3-thiazinane-4-carboxylic acid

3-[(tert-butoxy)carbonyl]-1,3-thiazinane-4-carboxylic acid

CAS No.:
590409-14-6
Catalog Number:
AG01DWIN
Molecular Formula:
C10H17NO4S
Molecular Weight:
247.3113
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Product Description
Catalog Number:
AG01DWIN
Chemical Name:
3-[(tert-butoxy)carbonyl]-1,3-thiazinane-4-carboxylic acid
CAS Number:
590409-14-6
Molecular Formula:
C10H17NO4S
Molecular Weight:
247.3113
MDL Number:
MFCD26099141
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazinane-4-carboxylic acid
InChI:
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-6-16-5-4-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChI Key:
BXVMDHQHMAEZRG-UHFFFAOYSA-N
SMILES:
O=C(N1CSCCC1C(=O)O)OC(C)(C)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.309g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties