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Home > Indoles and Oxindole > 84560-11-2
84560-11-2 | 2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium thiocyanate
CAS No: 84560-11-2 Catalog No: AG0052N2 MDL No:
Product Description
Catalog Number:
AG0052N2
Chemical Name:
2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium thiocyanate
CAS Number:
84560-11-2
Molecular Formula:
C23H25N3S
Molecular Weight:
375.5297
IUPAC Name:
(2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole;thiocyanate
InChI:
InChI=1S/C22H25N2.CHNS/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;2-1-3/h5-14,16H,15H2,1-4H3;3H/q+1;/p-1
InChI Key:
PCCXWQUHLWDNBR-UHFFFAOYSA-M
SMILES:
CC1Cc2c(N1C=CC1=[N+](C)c3c(C1(C)C)cccc3)cccc2.[S-]C#N
EC Number:
283-199-9
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
375.177g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.534g/mol
Monoisotopic Mass:
375.177g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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