6-amino-5-(benzylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one


Chemical Name: 6-amino-5-(benzylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one
CAS Number: 64232-83-3
Product Number: AG00EBM6(AGN-PC-0JWLY9)
Synonyms:
MDL No:
Molecular Formula: C11H10N4OS
Molecular Weight: 246.2883

Identification/Properties


Computed Properties
Molecular Weight:
246.288g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
246.058g/mol
Monoisotopic Mass:
246.058g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
396
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:
1
Compound Is Canonicalized:
Yes

Safety Information


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

NMR Spectrum


Other Analytical Data


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