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183280-08-2 | 1,2,4,5-Tetrazine-3(2H)-thione, 6-(2-furanyl)tetrahydro-
CAS No: 183280-08-2 Catalog No: AG0027GN MDL No:
Product Description
Catalog Number:
AG0027GN
Chemical Name:
1,2,4,5-Tetrazine-3(2H)-thione, 6-(2-furanyl)tetrahydro-
CAS Number:
183280-08-2
Molecular Formula:
C6H8N4OS
Molecular Weight:
184.2189
IUPAC Name:
6-(furan-2-yl)-1,2,4,5-tetrazinane-3-thione
InChI:
InChI=1S/C6H8N4OS/c12-6-9-7-5(8-10-6)4-2-1-3-11-4/h1-3,5,7-8H,(H2,9,10,12)
InChI Key:
NPJZAOKHNPILTB-UHFFFAOYSA-N
SMILES:
S=C1NNC(NN1)c1ccco1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.217g/mol
Monoisotopic Mass:
184.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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