4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-


Chemical Name: 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-
CAS Number: 13906-09-7
Product Number: AG001A3S(AGN-PC-0JUWFN)
Synonyms:
MDL No:
Molecular Formula: C8H6N2OS
Molecular Weight: 178.2110

Identification/Properties


Properties
MP:
>300 °C(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.209g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
178.02g/mol
Monoisotopic Mass:
178.02g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
229
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:
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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