Home Sulfos potassium 3-(cyanosulfanyl)propane-1-sulfonate

potassium 3-(cyanosulfanyl)propane-1-sulfonate

CAS No.:
496052-05-2
Catalog Number:
AG01EJUI
Molecular Formula:
C4H6KNO3S2
Molecular Weight:
219.3236
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Product Description
Catalog Number:
AG01EJUI
Chemical Name:
potassium 3-(cyanosulfanyl)propane-1-sulfonate
CAS Number:
496052-05-2
Molecular Formula:
C4H6KNO3S2
Molecular Weight:
219.3236
MDL Number:
MFCD00458117
IUPAC Name:
potassium;3-thiocyanatopropane-1-sulfonate
InChI:
InChI=1S/C4H7NO3S2.K/c5-4-9-2-1-3-10(6,7)8;/h1-3H2,(H,6,7,8);/q;+1/p-1
InChI Key:
BGILMHHTOJDVTK-UHFFFAOYSA-M
SMILES:
N#CSCCCS(=O)(=O)[O-].[K+]
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.943g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.314g/mol
Monoisotopic Mass:
218.943g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties