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CAS Number: 468717-94-4
1-tosyl-3-vinyl-1H-indole-5-carbonitrile

Structure

 1-tosyl-3-vinyl-1H-indole-5-carbonitrile
Name: 1-tosyl-3-vinyl-1H-indole-5-carbonitrile
Synonyms:
General Information
Product Number: 468717944

CAS Registry Number 468717-94-4
Name:
1H-?Indole-?5-?carbonitrile, 3-?ethenyl-?1-?[(4-?methylphenyl)?sulfonyl]?-
3-Ethenyl-1-[(4-methylphenyl)sulfonyl]-1H-indole-5-carbonitrile

 

Chemical Formula: C18H14N2O2S
Exact Mass: 322.08
Molecular Weight: 322.38
m/z: 322.08 (100.0%), 323.08 (20.5%), 324.07 (4.5%), 324.08 (2.5%)

 

InChI:InChI=1S/C18H14N2O2S/c1-3-15-12-20(18-9-6-14(11-19)10-17(15)18)23(21,22)16-7-4-13(2)5-8-16/h3-10,12H,1H2,2H3

InChI Key:DRRDTIXSULOZQT-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C=C

 

Thermal Properties Value Condition Note
Melting Point 134-135 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (1)CAS

Specification

98%
References
  1. (1) Marcin, Lawrence R.; Organic Letters 2005, V7(13), P2651-2654 CAPLUS
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