Home Other Building Blocks 3-Thietanone, 1,1-dioxide

3-Thietanone, 1,1-dioxide

CAS No.:
1599-23-1
Catalog Number:
AG001RIM
Molecular Formula:
C3H4O3S
Molecular Weight:
120.1271
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Product Description
Catalog Number:
AG001RIM
Chemical Name:
3-Thietanone, 1,1-dioxide
CAS Number:
1599-23-1
Molecular Formula:
C3H4O3S
Molecular Weight:
120.1271
MDL Number:
MFCD18325168
IUPAC Name:
1,1-dioxothietan-3-one
InChI:
InChI=1S/C3H4O3S/c4-3-1-7(5,6)2-3/h1-2H2
InChI Key:
AYVTTWZAVAGWEX-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)C1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.988g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.122g/mol
Monoisotopic Mass:
119.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties