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22959-74-6 | 6,13-Dithia-1,4,8,11-tetraazatricyclo[9.3.1.14,8]hexadecane-5,14-dithione
CAS No: 22959-74-6 Catalog No: AG002LP1 MDL No:
Product Description
Catalog Number:
AG002LP1
Chemical Name:
6,13-Dithia-1,4,8,11-tetraazatricyclo[9.3.1.14,8]hexadecane-5,14-dithione
CAS Number:
22959-74-6
Molecular Formula:
C10H16N4S4
Molecular Weight:
320.5208
IUPAC Name:
6,13-dithia-1,4,8,11-tetrazatricyclo[9.3.1.14,8]hexadecane-5,14-dithione
InChI:
InChI=1S/C10H16N4S4/c15-9-13-3-4-14-6-12(8-18-10(14)16)2-1-11(5-13)7-17-9/h1-8H2
InChI Key:
IZNGSLXBUAFPEM-UHFFFAOYSA-N
SMILES:
S=C1SCN2CN1CCN1CN(CC2)CSC1=S
NSC Number:
13520
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.506g/mol
Monoisotopic Mass:
320.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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