Home Carboxys 2-methyl-1,1-dioxo-1lambda6-thiolane-2-carboxylic acid

2-methyl-1,1-dioxo-1lambda6-thiolane-2-carboxylic acid

CAS No.:
18458-93-0
Catalog Number:
AG01BU7A
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
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Product Description
Catalog Number:
AG01BU7A
Chemical Name:
2-methyl-1,1-dioxo-1lambda6-thiolane-2-carboxylic acid
CAS Number:
18458-93-0
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
MDL Number:
MFCD20644526
IUPAC Name:
2-methyl-1,1-dioxothiolane-2-carboxylic acid
InChI:
InChI=1S/C6H10O4S/c1-6(5(7)8)3-2-4-11(6,9)10/h2-4H2,1H3,(H,7,8)
InChI Key:
PAFFRZYIBZKWRJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCCS1(=O)=O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.202g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties