Home Carboxys 5,5-dioxo-4H,6H,7H-5lambda6-thieno[3,2-c]thiopyran-2-carboxylic acid

5,5-dioxo-4H,6H,7H-5lambda6-thieno[3,2-c]thiopyran-2-carboxylic acid

CAS No.:
1247630-44-9
Catalog Number:
AG01A047
Molecular Formula:
C8H8O4S2
Molecular Weight:
232.2767
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Product Description
Catalog Number:
AG01A047
Chemical Name:
5,5-dioxo-4H,6H,7H-5lambda6-thieno[3,2-c]thiopyran-2-carboxylic acid
CAS Number:
1247630-44-9
Molecular Formula:
C8H8O4S2
Molecular Weight:
232.2767
MDL Number:
MFCD16045692
IUPAC Name:
5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylic acid
InChI:
InChI=1S/C8H8O4S2/c9-8(10)7-3-5-4-14(11,12)2-1-6(5)13-7/h3H,1-2,4H2,(H,9,10)
InChI Key:
XMSTWUXOVZVTBC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)CCS(=O)(=O)C2
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.268g/mol
Monoisotopic Mass:
231.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties