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123309-98-8 | N-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-guanidine
CAS No: 123309-98-8 Catalog No: AG01F9RG MDL No:
Product Description
Catalog Number:
AG01F9RG
Chemical Name:
N-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-guanidine
CAS Number:
123309-98-8
Molecular Formula:
C11H12N4OS
Molecular Weight:
248.3042
IUPAC Name:
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H12N4OS/c1-16-8-4-2-3-7(5-8)9-6-17-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)
InChI Key:
MSHOPLWIQJBEFT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1csc(n1)NC(=N)N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.304g/mol
Monoisotopic Mass:
248.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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