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Home > Other Heterocycles > 81411-31-6
81411-31-6 | 3-(ETHYLIMINO)-6,8-DIMETHYL-2,4-DITHIA-6,8-DIAZABICYCLO[3.2.2]NONANE-7,9-DIONE
CAS No: 81411-31-6 Catalog No: AG0059AE MDL No:
Product Description
Catalog Number:
AG0059AE
Chemical Name:
3-(ETHYLIMINO)-6,8-DIMETHYL-2,4-DITHIA-6,8-DIAZABICYCLO[3.2.2]NONANE-7,9-DIONE
CAS Number:
81411-31-6
Molecular Formula:
C9H13N3O2S2
Molecular Weight:
259.3484
IUPAC Name:
3-ethylimino-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
InChI:
InChI=1S/C9H13N3O2S2/c1-4-10-9-15-7-6(14)12(3)8(16-9)5(13)11(7)2/h7-8H,4H2,1-3H3
InChI Key:
GKYGKYMNADONIY-UHFFFAOYSA-N
SMILES:
CCN=C1SC2N(C(=O)C(S1)N(C2=O)C)C
NSC Number:
262143
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.342g/mol
Monoisotopic Mass:
259.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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