1H-Isoindole-1,3(2H)-dione, 2-(phenylthio)-


Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-(phenylthio)-
CAS Number: 14204-27-4
Product Number: AG001HM5(AGN-PC-04XEHG)
Synonyms:
MDL No:
Molecular Formula: C14H9NO2S
Molecular Weight: 255.2918

Identification/Properties


Properties
MP:
160-163 °C(lit.)
BP:
432.2°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Solubility:
DMSO: soluble25mg/mL, clear, yellow
Computed Properties
Molecular Weight:
255.291g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
255.035g/mol
Monoisotopic Mass:
255.035g/mol
Topological Polar Surface Area:
62.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
328
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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