Home Carboxys 1,1-dioxo-1lambda6-thietane-2-carboxylic acid

1,1-dioxo-1lambda6-thietane-2-carboxylic acid

CAS No.:
1785450-70-5
Catalog Number:
AG01DYYI
Molecular Formula:
C4H6O4S
Molecular Weight:
150.1530
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Product Description
Catalog Number:
AG01DYYI
Chemical Name:
1,1-dioxo-1lambda6-thietane-2-carboxylic acid
CAS Number:
1785450-70-5
Molecular Formula:
C4H6O4S
Molecular Weight:
150.1530
MDL Number:
MFCD31616407
IUPAC Name:
1,1-dioxothietane-2-carboxylic acid
InChI:
InChI=1S/C4H6O4S/c5-4(6)3-1-2-9(3,7)8/h3H,1-2H2,(H,5,6)
InChI Key:
WCZPHNHOIGWYQX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCS1(=O)=O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.999g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.148g/mol
Monoisotopic Mass:
149.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties