Butanedioic acid, [[2-[(aminoiminomethyl)amino]ethyl]thio]-


Chemical Name: Butanedioic acid, [[2-[(aminoiminomethyl)amino]ethyl]thio]-
CAS Number: 77482-44-1
Product Number: AG0059BX(AGN-PC-0OI0L0)
Synonyms:
MDL No: MFCD00036862
Molecular Formula: C7H13N3O4S
Molecular Weight: 235.2608

Identification/Properties


Computed Properties
Molecular Weight:
235.258g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
235.063g/mol
Monoisotopic Mass:
235.063g/mol
Topological Polar Surface Area:
164A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
265
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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