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70601-76-2 | 1,2,4,5-Tetraazaspiro[5.11]heptadecane-3-thione
CAS No: 70601-76-2 Catalog No: AG0066OD MDL No:MFCD00832451
Product Description
Catalog Number:
AG0066OD
Chemical Name:
1,2,4,5-Tetraazaspiro[5.11]heptadecane-3-thione
CAS Number:
70601-76-2
Molecular Formula:
C13H26N4S
Molecular Weight:
270.4373
MDL Number:
MFCD00832451
IUPAC Name:
1,2,4,5-tetrazaspiro[5.11]heptadecane-3-thione
InChI:
InChI=1S/C13H26N4S/c18-12-14-16-13(17-15-12)10-8-6-4-2-1-3-5-7-9-11-13/h16-17H,1-11H2,(H2,14,15,18)
InChI Key:
FSQTVHANFAMYEX-UHFFFAOYSA-N
SMILES:
S=C1NNC2(NN1)CCCCCCCCCCC2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.439g/mol
Monoisotopic Mass:
270.188g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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