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16111-47-0 | 1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, 3,7-di-2-furanyltetrahydro-
CAS No: 16111-47-0 Catalog No: AG001S6D MDL No:
Product Description
Catalog Number:
AG001S6D
Chemical Name:
1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, 3,7-di-2-furanyltetrahydro-
CAS Number:
16111-47-0
Molecular Formula:
C12H10N4O2S2
Molecular Weight:
306.3634
IUPAC Name:
1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
InChI:
InChI=1S/C12H10N4O2S2/c19-11-13-9(7-3-1-5-17-7)15-12(20)14-10(16(11)15)8-4-2-6-18-8/h1-6,9-10H,(H,13,19)(H,14,20)
InChI Key:
MVQUTNOUSMMRAW-UHFFFAOYSA-N
SMILES:
S=C1NC(N2N1C(NC2=S)c1ccco1)c1ccco1
NSC Number:
174931
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.358g/mol
Monoisotopic Mass:
306.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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