Carbamimidothioic acid, 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethylester, monomethanesulfonate


Chemical Name: Carbamimidothioic acid, 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethylester, monomethanesulfonate
CAS Number: 182004-65-5
Product Number: AG00239H(AGN-PC-0QC4BM)
Synonyms:
MDL No:
Molecular Formula: C17H21N3O6S2
Molecular Weight: 427.4951

Identification/Properties


Computed Properties
Molecular Weight:
427.49g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
427.087g/mol
Monoisotopic Mass:
427.087g/mol
Topological Polar Surface Area:
193A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
479
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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