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88540-63-0 | Guanidine, [4-[3-[[(ethylamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS No: 88540-63-0 Catalog No: AG004E59 MDL No:
Product Description
Catalog Number:
AG004E59
Chemical Name:
Guanidine, [4-[3-[[(ethylamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS Number:
88540-63-0
Molecular Formula:
C13H16N6S
Molecular Weight:
288.3713
IUPAC Name:
N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-ethylmethanimidamide
InChI:
InChI=1S/C13H16N6S/c1-2-16-8-17-10-5-3-4-9(6-10)11-7-20-13(18-11)19-12(14)15/h3-8H,2H2,1H3,(H,16,17)(H4,14,15,18,19)
InChI Key:
PADPJXQJDVBXQE-UHFFFAOYSA-N
SMILES:
CCNC=Nc1cccc(c1)c1csc(n1)NC(=N)N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.373g/mol
Monoisotopic Mass:
288.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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