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127399-34-2 | [1,2,4]Triazolo[3,4-c]-1,2,4,5-dithiadiazin-3-amine, N,6-diphenyl-
CAS No: 127399-34-2 Catalog No: AG000X19 MDL No:
Product Description
Catalog Number:
AG000X19
Chemical Name:
[1,2,4]Triazolo[3,4-c]-1,2,4,5-dithiadiazin-3-amine, N,6-diphenyl-
CAS Number:
127399-34-2
Molecular Formula:
C15H11N5S2
Molecular Weight:
325.4113
IUPAC Name:
N,6-diphenyl-4H-[1,2,4]triazolo[3,4-c][1,2,4,5]dithiadiazin-3-imine
InChI:
InChI=1S/C15H11N5S2/c1-3-7-11(8-4-1)13-17-18-15-20(13)19-14(21-22-15)16-12-9-5-2-6-10-12/h1-10H,(H,16,19)
InChI Key:
FSIVWJORULPSHY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NC1=Nn2c(SS1)nnc2c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.046g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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