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151220-52-9 | Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-
CAS No: 151220-52-9 Catalog No: AG001N6O MDL No:
Product Description
Catalog Number:
AG001N6O
Chemical Name:
Guanidine, N,N'-bis(3-methylphenyl)-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-
CAS Number:
151220-52-9
Molecular Formula:
C17H16N4S3
Molecular Weight:
372.5307
IUPAC Name:
1,2-bis(3-methylphenyl)-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
InChI:
InChI=1S/C17H16N4S3/c1-11-5-3-7-13(9-11)19-15(18)21(16-20-17(22)24-23-16)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,19)
InChI Key:
YLSYHHMMZHHIFN-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)NC(=N)N(c1ssc(=S)n1)c1cccc(c1)C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.054g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.523g/mol
Monoisotopic Mass:
372.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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