3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-,2,2-dioxide, (3aR,6S,7aS)-


Chemical Name: 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-,2,2-dioxide, (3aR,6S,7aS)-
CAS Number: 108448-77-7
Product Number: AG003BHN(AGN-PC-0OYHDV)
Synonyms:
MDL No:
Molecular Formula: C10H17NO2S
Molecular Weight: 215.3125

Identification/Properties


Properties
MP:
185-187 °C(lit.)
BP:
324.8 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
31 ° (C=1, CHCl3)
Computed Properties
Molecular Weight:
215.31g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
215.098g/mol
Monoisotopic Mass:
215.098g/mol
Topological Polar Surface Area:
54.6Ų
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
381
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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