methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate


Chemical Name: methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
CAS Number: 138489-18-6
Product Number: AG0019A0(AGN-PC-00CZ01)
Synonyms:
MDL No: MFCD03788207
Molecular Formula: C26H27N5O5S2
Molecular Weight: 553.6531

Identification/Properties


Computed Properties
Molecular Weight:
553.652g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
553.145g/mol
Monoisotopic Mass:
553.145g/mol
Topological Polar Surface Area:
194A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
937
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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