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Home > Other Heterocycles > 189343-90-6
189343-90-6 | 4,10-Dithia-1,7,13-triazabicyclo[11.3.3]nonadecane (9CI)
CAS No: 189343-90-6 Catalog No: AG002IBU MDL No:
Product Description
Catalog Number:
AG002IBU
Chemical Name:
4,10-Dithia-1,7,13-triazabicyclo[11.3.3]nonadecane (9CI)
CAS Number:
189343-90-6
Molecular Formula:
C14H29N3S2
Molecular Weight:
303.5302
IUPAC Name:
4,10-dithia-1,7,13-triazabicyclo[11.3.3]nonadecane
InChI:
InChI=1S/C14H29N3S2/c1-5-16-7-2-8-17(6-1)10-14-19-12-4-15-3-11-18-13-9-16/h15H,1-14H2
InChI Key:
ZKBFBOHCGMDPHL-UHFFFAOYSA-N
SMILES:
C1NCCSCCN2CCCN(CCSC1)CCC2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.18g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.527g/mol
Monoisotopic Mass:
303.18g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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