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88541-11-1 | Guanidine, [4-[3-(methylamino)phenyl]-2-thiazolyl]-
CAS No: 88541-11-1 Catalog No: AG004DSA MDL No:
Product Description
Catalog Number:
AG004DSA
Chemical Name:
Guanidine, [4-[3-(methylamino)phenyl]-2-thiazolyl]-
CAS Number:
88541-11-1
Molecular Formula:
C11H13N5S
Molecular Weight:
247.3194
IUPAC Name:
2-[4-[3-(methylamino)phenyl]-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H13N5S/c1-14-8-4-2-3-7(5-8)9-6-17-11(15-9)16-10(12)13/h2-6,14H,1H3,(H4,12,13,15,16)
InChI Key:
FWRFJIGHPFOHHO-UHFFFAOYSA-N
SMILES:
CNc1cccc(c1)c1csc(n1)NC(=N)N
Properties
Complexity:
279
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:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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