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107869-45-4 | (3aR,6S)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CAS No: 107869-45-4 Catalog No: AG003BC0 MDL No:MFCD09992877
Product Description
Catalog Number:
AG003BC0
Chemical Name:
(3aR,6S)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CAS Number:
107869-45-4
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD09992877
IUPAC Name:
(1R,7S)-10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene 3,3-dioxide
InChI:
InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3/t7-,10-/m0/s1
InChI Key:
ZAHOEBNYVSWBBW-XVKPBYJWSA-N
SMILES:
O=S1(=O)N=C2[C@@]3(C1)CC[C@@H](C2)C3(C)C
EC Number:
621-464-6
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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