Home Other Building Blocks bis(1-[2-(4-sulfamoylphenyl)ethyl]guanidine), sulfuric acid

bis(1-[2-(4-sulfamoylphenyl)ethyl]guanidine), sulfuric acid

CAS No.:
1803593-22-7
Catalog Number:
AG01AG49
Molecular Formula:
C18H30N8O8S3
Molecular Weight:
582.6746
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Product Description
Catalog Number:
AG01AG49
Chemical Name:
bis(1-[2-(4-sulfamoylphenyl)ethyl]guanidine), sulfuric acid
CAS Number:
1803593-22-7
Molecular Formula:
C18H30N8O8S3
Molecular Weight:
582.6746
MDL Number:
MFCD27920331
IUPAC Name:
2-[2-(4-sulfamoylphenyl)ethyl]guanidine;sulfuric acid
InChI:
InChI=1S/2C9H14N4O2S.H2O4S/c2*10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15;1-5(2,3)4/h2*1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15);(H2,1,2,3,4)
InChI Key:
YSQUANKOUUXZQC-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCCc1ccc(cc1)S(=O)(=O)N.NC(=N)NCCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.135g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
582.666g/mol
Monoisotopic Mass:
582.135g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
349A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties