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78650-08-5 | 1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-4-(2-thienyl)-
CAS No: 78650-08-5 Catalog No: AG005K0S MDL No:MFCD02699608
Product Description
Catalog Number:
AG005K0S
Chemical Name:
1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-4-(2-thienyl)-
CAS Number:
78650-08-5
Molecular Formula:
C13H11N5S
Molecular Weight:
269.3249
MDL Number:
MFCD02699608
IUPAC Name:
4-thiophen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
InChI:
InChI=1S/C13H11N5S/c14-12-16-11(10-6-3-7-19-10)18-9-5-2-1-4-8(9)15-13(18)17-12/h1-7,11H,(H3,14,15,16,17)
InChI Key:
MKXLYVVEBIMPSW-UHFFFAOYSA-N
SMILES:
NC1=NC(n2c(N1)nc1c2cccc1)c1cccs1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.326g/mol
Monoisotopic Mass:
269.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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