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88540-99-2 | Guanidine, [3-(4-aminophenyl)-1,2,4-thiadiazol-5-yl]-
CAS No: 88540-99-2 Catalog No: AG004CRA MDL No:
Product Description
Catalog Number:
AG004CRA
Chemical Name:
Guanidine, [3-(4-aminophenyl)-1,2,4-thiadiazol-5-yl]-
CAS Number:
88540-99-2
Molecular Formula:
C9H10N6S
Molecular Weight:
234.2809
IUPAC Name:
2-[3-(4-aminophenyl)-1,2,4-thiadiazol-5-yl]guanidine
InChI:
InChI=1S/C9H10N6S/c10-6-3-1-5(2-4-6)7-13-9(16-15-7)14-8(11)12/h1-4H,10H2,(H4,11,12,13,14,15)
InChI Key:
LJPNKYPPZKABNT-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1snc(n1)c1ccc(cc1)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.281g/mol
Monoisotopic Mass:
234.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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