Home Sulfos potassium 4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-sulfonate

potassium 4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-sulfonate

CAS No.:
1864054-14-7
Catalog Number:
AG01AUE4
Molecular Formula:
C12H14KN3O3S
Molecular Weight:
319.4212
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Product Description
Catalog Number:
AG01AUE4
Chemical Name:
potassium 4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-sulfonate
CAS Number:
1864054-14-7
Molecular Formula:
C12H14KN3O3S
Molecular Weight:
319.4212
MDL Number:
MFCD29034856
IUPAC Name:
potassium;4-ethyl-5-(2-phenylethyl)-1,2,4-triazole-3-sulfonate
InChI:
InChI=1S/C12H15N3O3S.K/c1-2-15-11(13-14-12(15)19(16,17)18)9-8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,16,17,18);/q;+1/p-1
InChI Key:
MWJWUKSWYZXWLL-UHFFFAOYSA-M
SMILES:
CCn1c(CCc2ccccc2)nnc1S(=O)(=O)[O-].[K+]
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.039g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.42g/mol
Monoisotopic Mass:
319.039g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties