2H-Thieno[3,2-d][1,3]oxazine-2,4(1H)-dione


Chemical Name: 2H-Thieno[3,2-d][1,3]oxazine-2,4(1H)-dione
CAS Number: 78756-28-2
Product Number: AG008M23(AGN-PC-0KKYB8)
Synonyms:
MDL No:
Molecular Formula: C6H3NO3S
Molecular Weight: 169.1579

Identification/Properties


Computed Properties
Molecular Weight:
169.154g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
168.983g/mol
Monoisotopic Mass:
168.983g/mol
Topological Polar Surface Area:
83.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
218
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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