Home Carboxys Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide

Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide

CAS No.:
889946-17-2
Catalog Number:
AG00466I
Molecular Formula:
C8H12O5S
Molecular Weight:
220.2429
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Product Description
Catalog Number:
AG00466I
Chemical Name:
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide
CAS Number:
889946-17-2
Molecular Formula:
C8H12O5S
Molecular Weight:
220.2429
MDL Number:
MFCD08166525
IUPAC Name:
ethyl 1,1,4-trioxothiane-3-carboxylate
InChI:
InChI=1S/C8H12O5S/c1-2-13-8(10)6-5-14(11,12)4-3-7(6)9/h6H,2-5H2,1H3
InChI Key:
IHKLDJACPKRQHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CS(=O)(=O)CCC1=O
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.239g/mol
Monoisotopic Mass:
220.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties