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88012-24-2 | Guanidine, N,N'-diphenyl-N''-2-thiazolyl-
CAS No: 88012-24-2 Catalog No: AG004JUZ MDL No:
Product Description
Catalog Number:
AG004JUZ
Chemical Name:
Guanidine, N,N'-diphenyl-N''-2-thiazolyl-
CAS Number:
88012-24-2
Molecular Formula:
C16H14N4S
Molecular Weight:
294.3742
IUPAC Name:
1,3-diphenyl-2-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C16H14N4S/c1-3-7-13(8-4-1)18-15(20-16-17-11-12-21-16)19-14-9-5-2-6-10-14/h1-12H,(H2,17,18,19,20)
InChI Key:
FMWQXQFQDCDUMQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NC(=Nc1nccs1)Nc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.376g/mol
Monoisotopic Mass:
294.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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