Home Carboxys 4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiane-4-carboxylic acid

4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiane-4-carboxylic acid

CAS No.:
2044773-02-4
Catalog Number:
AG01B53N
Molecular Formula:
C11H18O6S
Molecular Weight:
278.3220
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B53N
Chemical Name:
4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiane-4-carboxylic acid
CAS Number:
2044773-02-4
Molecular Formula:
C11H18O6S
Molecular Weight:
278.3220
MDL Number:
MFCD30487196
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxothiane-4-carboxylic acid
InChI:
InChI=1S/C11H18O6S/c1-10(2,3)17-9(14)11(8(12)13)4-6-18(15,16)7-5-11/h4-7H2,1-3H3,(H,12,13)
InChI Key:
CPHMUEVLMNHCOP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCS(=O)(=O)CC1)C(=O)OC(C)(C)C
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.319g/mol
Monoisotopic Mass:
278.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties