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94594-90-8 | (3aS,6S,7aS)-8,8-Dimethylhexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CAS No: 94594-90-8 Catalog No: AG003BJT MDL No:MFCD00066271
Product Description
Catalog Number:
AG003BJT
Chemical Name:
(3aS,6S,7aS)-8,8-Dimethylhexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CAS Number:
94594-90-8
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
MDL Number:
MFCD00066271
IUPAC Name:
(1S,5R,7R)-10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
InChI:
InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10-/m1/s1
InChI Key:
DPJYJNYYDJOJNO-NQMVMOMDSA-N
SMILES:
O=S1(=O)N[C@@H]2[C@]3(C1)CC[C@@H](C2)C3(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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