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


Chemical Name: 3H-3a,6-Methano-2,1-benzisothiazole,1-acetylhexahydro-8,8-dimethyl-, 2,2-dioxide, (3aR,6S,7aS)-
CAS Number: 150448-66-1
Product Number: AG001MMY(AGN-PC-0Q4QUW)
Synonyms:
MDL No: MFCD00269650
Molecular Formula: C12H19NO3S
Molecular Weight: 257.3492

Identification/Properties


Properties
BP:
371.4±25.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
257.348g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
257.109g/mol
Monoisotopic Mass:
257.109g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
490
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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