1,3-Dithiane, 2-phenyl-


Chemical Name: 1,3-Dithiane, 2-phenyl-
CAS Number: 5425-44-5
Product Number: AG003HUU(AGN-PC-04061R)
Synonyms:
MDL No:
Molecular Formula: C10H12S2
Molecular Weight: 196.3323

Identification/Properties


Properties
MP:
72-74 °C(lit.)
BP:
326.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
acetone: soluble25mg/mL, clear, colorless to yellow
Computed Properties
Molecular Weight:
196.326g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
196.038g/mol
Monoisotopic Mass:
196.038g/mol
Topological Polar Surface Area:
50.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
124
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


NMR Spectrum


Other Analytical Data


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