6H-Purine-6-thione, 2-amino-1,7-dihydro-


Chemical Name: 6H-Purine-6-thione, 2-amino-1,7-dihydro-
CAS Number: 154-42-7
Product Number: AG007XL9(AGN-PC-0O4EG3)
Synonyms:
MDL No:
Molecular Formula: C5H5N5S
Molecular Weight: 167.1917

Identification/Properties


Computed Properties
Molecular Weight:
167.19g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
167.027g/mol
Monoisotopic Mass:
167.027g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
225
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#:
-
Hazard Statements:
H317-H319-H350-H360
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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