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Home > Other Heterocycles > 189513-55-1
189513-55-1 | 1,2,4,5-Tetraazaspiro[5.5]undecane-3-thione, 9-(1,1-dimethylethyl)-
CAS No: 189513-55-1 Catalog No: AG002DQ2 MDL No:
Product Description
Catalog Number:
AG002DQ2
Chemical Name:
1,2,4,5-Tetraazaspiro[5.5]undecane-3-thione, 9-(1,1-dimethylethyl)-
CAS Number:
189513-55-1
Molecular Formula:
C11H22N4S
Molecular Weight:
242.3842
IUPAC Name:
9-tert-butyl-1,2,4,5-tetrazaspiro[5.5]undecane-3-thione
InChI:
InChI=1S/C11H22N4S/c1-10(2,3)8-4-6-11(7-5-8)14-12-9(16)13-15-11/h8,14-15H,4-7H2,1-3H3,(H2,12,13,16)
InChI Key:
VOONHXSNUIDTGL-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(CC1)NNC(=S)NN2)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.385g/mol
Monoisotopic Mass:
242.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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