Sulfilimine, S,S-diphenyl-, monohydrate


Chemical Name: Sulfilimine, S,S-diphenyl-, monohydrate
CAS Number: 68837-61-6
Product Number: AG003U6E(AGN-PC-0092F6)
Synonyms:
MDL No:
Molecular Formula: C12H13NOS
Molecular Weight: 219.3027

Identification/Properties


Properties
MP:
67-71℃ (lit.)
Storage:
Room Temperature;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
219.302g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.072g/mol
Monoisotopic Mass:
219.072g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
171
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H302-H400
Precautionary Statements:
P264-P270-P273-P301+P312+P330-P391-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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