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88540-94-7 | Guanidine, [4-(3-amino-4-methylphenyl)-2-thiazolyl]-
CAS No: 88540-94-7 Catalog No: AG004DSD MDL No:
Product Description
Catalog Number:
AG004DSD
Chemical Name:
Guanidine, [4-(3-amino-4-methylphenyl)-2-thiazolyl]-
CAS Number:
88540-94-7
Molecular Formula:
C11H13N5S
Molecular Weight:
247.3194
IUPAC Name:
2-[4-(3-amino-4-methylphenyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H13N5S/c1-6-2-3-7(4-8(6)12)9-5-17-11(15-9)16-10(13)14/h2-5H,12H2,1H3,(H4,13,14,15,16)
InChI Key:
RFBREHGRSASXFI-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1scc(n1)c1ccc(c(c1)N)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.32g/mol
Monoisotopic Mass:
247.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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