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Home > Indoles and Oxindole > 81892-56-0
81892-56-0 | 2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium thiocyanate
CAS No: 81892-56-0 Catalog No: AG00566Z MDL No:
Product Description
Catalog Number:
AG00566Z
Chemical Name:
2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium thiocyanate
CAS Number:
81892-56-0
Molecular Formula:
C21H24N4OS
Molecular Weight:
380.5065
IUPAC Name:
1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine;thiocyanate
InChI:
InChI=1S/C20H23N3O.CHNS/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;2-1-3/h5-12,14H,13H2,1-4H3;3H
InChI Key:
UDVNMMHYAYKLPV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNN=CC1=[N+](C)c2c(C1(C)C)cccc2.[S-]C#N
EC Number:
279-844-9
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
380.167g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.51g/mol
Monoisotopic Mass:
380.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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