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20950-37-2 | Guanidine, N-(4-methylphenyl)-N'-(4-phenyl-2-thiazolyl)-
CAS No: 20950-37-2 Catalog No: AG002K9G MDL No:
Product Description
Catalog Number:
AG002K9G
Chemical Name:
Guanidine, N-(4-methylphenyl)-N'-(4-phenyl-2-thiazolyl)-
CAS Number:
20950-37-2
Molecular Formula:
C17H16N4S
Molecular Weight:
308.4007
IUPAC Name:
1-(4-methylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C17H16N4S/c1-12-7-9-14(10-8-12)19-16(18)21-17-20-15(11-22-17)13-5-3-2-4-6-13/h2-11H,1H3,(H3,18,19,20,21)
InChI Key:
HXUXRCYOSFSJNC-UHFFFAOYSA-N
SMILES:
N=C(Nc1scc(n1)c1ccccc1)Nc1ccc(cc1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.403g/mol
Monoisotopic Mass:
308.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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