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Home > Other Heterocycles > 879213-93-1
879213-93-1 | 9-Thia-3,7-diazabicyclo[3.3.1]nonane, 3,7-dimethyl-, 9,9-dioxide
CAS No: 879213-93-1 Catalog No: AG004DQU MDL No:
Product Description
Catalog Number:
AG004DQU
Chemical Name:
9-Thia-3,7-diazabicyclo[3.3.1]nonane, 3,7-dimethyl-, 9,9-dioxide
CAS Number:
879213-93-1
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
IUPAC Name:
3,7-dimethyl-9λ6-thia-3,7-diazabicyclo[3.3.1]nonane 9,9-dioxide
InChI:
InChI=1S/C8H16N2O2S/c1-9-3-7-5-10(2)6-8(4-9)13(7,11)12/h7-8H,3-6H2,1-2H3
InChI Key:
WHFRICGXTVXCSG-UHFFFAOYSA-N
SMILES:
CN1CC2CN(CC(C1)S2(=O)=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.288g/mol
Monoisotopic Mass:
204.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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