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Home > Imidazoles > 67617-39-4
67617-39-4 | POTASSIUM 5-OXO-1-PHENYL-2-THIOXOIMIDAZOLIDINE-4-METHANESULFONATE
CAS No: 67617-39-4 Catalog No: AG005YWE MDL No:
Product Description
Catalog Number:
AG005YWE
Chemical Name:
POTASSIUM 5-OXO-1-PHENYL-2-THIOXOIMIDAZOLIDINE-4-METHANESULFONATE
CAS Number:
67617-39-4
Molecular Formula:
C10H9KN2O4S2
Molecular Weight:
324.4178
IUPAC Name:
potassium;(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)methanesulfonate
InChI:
InChI=1S/C10H10N2O4S2.K/c13-9-8(6-18(14,15)16)11-10(17)12(9)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,17)(H,14,15,16);/q;+1/p-1
InChI Key:
KQOCXOAFBZCYRF-UHFFFAOYSA-M
SMILES:
S=C1NC(C(=O)N1c1ccccc1)CS(=O)(=O)[O-].[K+]
EC Number:
266-771-2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.964g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.41g/mol
Monoisotopic Mass:
323.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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