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ethanesulfonyl isocyanate

CAS No.:
14604-85-4
Catalog Number:
AG01AURA
Molecular Formula:
C3H5NO3S
Molecular Weight:
135.1417
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Product Description
Catalog Number:
AG01AURA
Chemical Name:
ethanesulfonyl isocyanate
CAS Number:
14604-85-4
Molecular Formula:
C3H5NO3S
Molecular Weight:
135.1417
MDL Number:
MFCD16300733
IUPAC Name:
N-(oxomethylidene)ethanesulfonamide
InChI:
InChI=1S/C3H5NO3S/c1-2-8(6,7)4-3-5/h2H2,1H3
InChI Key:
SFWQPYSIXMKRKF-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N=C=O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.999g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.137g/mol
Monoisotopic Mass:
134.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties