Home Other Building Blocks 4-isocyanato-1lambda6-thiane-1,1-dione

4-isocyanato-1lambda6-thiane-1,1-dione

CAS No.:
1250972-29-2
Catalog Number:
AG01B322
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
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Product Description
Catalog Number:
AG01B322
Chemical Name:
4-isocyanato-1lambda6-thiane-1,1-dione
CAS Number:
1250972-29-2
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
MDL Number:
MFCD18269690
IUPAC Name:
4-isocyanatothiane 1,1-dioxide
InChI:
InChI=1S/C6H9NO3S/c8-5-7-6-1-3-11(9,10)4-2-6/h6H,1-4H2
InChI Key:
JCPPUJQADFCQBQ-UHFFFAOYSA-N
SMILES:
O=C=NC1CCS(=O)(=O)CC1
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.202g/mol
Monoisotopic Mass:
175.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties