2-(Methylthio)-5,6,7,8-tetrahydroquinazolin-4(3H)-one


Chemical Name: 2-(Methylthio)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CAS Number: 34170-21-3
Product Number: AG007H87(AGN-PC-0WA5CK)
Synonyms:
MDL No:
Molecular Formula: C9H12N2OS
Molecular Weight: 196.2694

Identification/Properties


Computed Properties
Molecular Weight:
196.268g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
196.067g/mol
Monoisotopic Mass:
196.067g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
307
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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