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Home > Other Heterocycles > 10219-95-1
10219-95-1 | 3,4-Dithia-1,6-diazabicyclo[4.2.2]decane-2,5-dithione
CAS No: 10219-95-1 Catalog No: AG0006US MDL No:
Product Description
Catalog Number:
AG0006US
Chemical Name:
3,4-Dithia-1,6-diazabicyclo[4.2.2]decane-2,5-dithione
CAS Number:
10219-95-1
Molecular Formula:
C6H8N2S4
Molecular Weight:
236.4011
IUPAC Name:
3,4-dithia-1,6-diazabicyclo[4.2.2]decane-2,5-dithione
InChI:
InChI=1S/C6H8N2S4/c9-5-7-1-2-8(4-3-7)6(10)12-11-5/h1-4H2
InChI Key:
FHYHHGXYPNMHFO-UHFFFAOYSA-N
SMILES:
S=C1SSC(=S)N2CCN1CC2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.957g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.384g/mol
Monoisotopic Mass:
235.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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