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Home > Imidazoles > 107960-41-8
107960-41-8 | Imidazo[1,2-a]-1,3,5-triazine-4(1H)-thione, 6,7-dihydro-2-(propylthio)-
CAS No: 107960-41-8 Catalog No: AG007DQG MDL No:
Product Description
Catalog Number:
AG007DQG
Chemical Name:
Imidazo[1,2-a]-1,3,5-triazine-4(1H)-thione, 6,7-dihydro-2-(propylthio)-
CAS Number:
107960-41-8
Molecular Formula:
C8H12N4S2
Molecular Weight:
228.3377
IUPAC Name:
2-propylsulfanyl-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazine-4-thione
InChI:
InChI=1S/C8H12N4S2/c1-2-5-14-7-10-6-9-3-4-12(6)8(13)11-7/h2-5H2,1H3,(H,9,10,11,13)
InChI Key:
NVIQQSPALIUBLF-UHFFFAOYSA-N
SMILES:
CCCSc1nc(=S)n2c(=NCC2)[nH]1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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