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84196-23-6 | 1,3,3-Trimethyl-2-((methyl(p-tolyl)hydrazono)methyl)-3H-indolium thiocyanate
CAS No: 84196-23-6 Catalog No: AG004OZ6 MDL No:
Product Description
Catalog Number:
AG004OZ6
Chemical Name:
1,3,3-Trimethyl-2-((methyl(p-tolyl)hydrazono)methyl)-3H-indolium thiocyanate
CAS Number:
84196-23-6
Molecular Formula:
C21H24N4S
Molecular Weight:
364.5071
IUPAC Name:
N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;thiocyanate
InChI:
InChI=1S/C20H24N3.CHNS/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;2-1-3/h6-14H,1-5H3;3H/q+1;/p-1
InChI Key:
ZZDGSNURKRZVBR-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C.[S-]C#N
EC Number:
282-433-7
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
364.172g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.511g/mol
Monoisotopic Mass:
364.172g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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