3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
CAS Registry Number®
68133-69-7
CAS Name
3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrileMolecular Formula
C20H18N6O4SMolecular Mass
438.46Cite this Page
3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=58051-98-2 (retrieved ) (CAS RN: 68133-69-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
167 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3
InChIKey
InChIKey=ZNUBBVSUTSNSIM-UHFFFAOYSA-N
SMILES
N(=NC1=CC=C(N(CCOC(C)=O)CCC#N)C=C1)C=2SC=3C(N2)=CC=C(N(=O)=O)C3
Canonical SMILES
N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(=CC3S2)N(=O)=O)C=C1)CCOC(=O)C
Other Names for this Substance
- Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-
- Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-
- Propionitrile, 3-[N-(2-hydroxyethyl)-p-[(6-nitro-2-benzothiazolyl)azo]anilino]-, acetate
- 3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
- C.I. 11122
Deleted or Replaced CAS Registry Numbers
58051-98-2