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Home > Other Heterocycles > 18801-59-7
18801-59-7 | 1,2,4,5-Tetraazaspiro[5.5]undecane-3-thione
CAS No: 18801-59-7 Catalog No: AG002GN4 MDL No:
Product Description
Catalog Number:
AG002GN4
Chemical Name:
1,2,4,5-Tetraazaspiro[5.5]undecane-3-thione
CAS Number:
18801-59-7
Molecular Formula:
C7H14N4S
Molecular Weight:
186.2779
IUPAC Name:
1,2,4,5-tetrazaspiro[5.5]undecane-3-thione
InChI:
InChI=1S/C7H14N4S/c12-6-8-10-7(11-9-6)4-2-1-3-5-7/h10-11H,1-5H2,(H2,8,9,12)
InChI Key:
KXDXFMWPSKBMES-UHFFFAOYSA-N
SMILES:
S=C1NNC2(NN1)CCCCC2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
186.277g/mol
Monoisotopic Mass:
186.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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