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345896-10-8 | 3H-3a,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-,2-oxide,(2R,3aS,6R,7aR)-(9CI)
CAS No: 345896-10-8 Catalog No: AG00CWGG MDL No:
Product Description
Catalog Number:
AG00CWGG
Chemical Name:
3H-3a,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-,2-oxide,(2R,3aS,6R,7aR)-(9CI)
CAS Number:
345896-10-8
IUPAC Name:
(1S,3R,5R,7R)-10,10-dimethyl-3λ4-thia-4-azatricyclo[5.2.1.01,5]decane 3-oxide
InChI:
InChI=1S/C10H17NOS/c1-9(2)7-3-4-10(9)6-13(12)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10-,13-/m1/s1
InChI Key:
BMHVGGXRGYPYAM-ISDYYCSASA-N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
199.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.312g/mol
Monoisotopic Mass:
199.103g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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