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84545-73-3 | Guanidine, [4-(3-cyanophenyl)-2-thiazolyl]-
CAS No: 84545-73-3 Catalog No: AG0053W8 MDL No:
Product Description
Catalog Number:
AG0053W8
Chemical Name:
Guanidine, [4-(3-cyanophenyl)-2-thiazolyl]-
CAS Number:
84545-73-3
Molecular Formula:
C11H9N5S
Molecular Weight:
243.2877
IUPAC Name:
2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H9N5S/c12-5-7-2-1-3-8(4-7)9-6-17-11(15-9)16-10(13)14/h1-4,6H,(H4,13,14,15,16)
InChI Key:
JINDRPSYECFCBT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1csc(n1)NC(=N)N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.288g/mol
Monoisotopic Mass:
243.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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