RefChem:272900
3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: 3-[[4-[azo]phenyl]amino]propanenitrile|3-[ [4-[ azo]phenyl]amino]propanenitrile|Propanenitrile, 3-((2-hydroxyethyl)(4-((5-nitro-2-benzothiazolyl)azo)phenyl)amino)-|Propanenitrile, 3-[(2-hydroxyethyl)[4-[(5-nitro-2-benzothiazolyl)azo]phenyl]amino]-|Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(5-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-|Propanonitrile, 3-((2-hydroxyethyl)(4-((5-nitro-1,3-benzothiazol-2-yl)azo)phenyl)amino)-|3-((2-Hydroxyethyl)(4-(2-(5-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile|3-[(2-Hydroxyethyl)[4-[(5-nitrobenzothiazol-2-yl)azo]phenyl]amino]propanenitrile|3-[(2-Hydroxyethyl)[4-[2-(5-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile|3-[(2-Hydroxyethyl){4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]propanenitrile|3-[2-hydroxyethyl-[4-(5-nitrobenzothiazol-2-yl)diazenylphenyl]amino]propanenitrile|3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile|3-[(2-hydroxyethyl)({4-[2-(5-nitro-1,3-benzothiazol-2-yl)diazen-1-yl]phenyl})amino]propanenitrile
| Molecular Formula | C18H16N6O3S |
|---|---|
| Molecular Weight | 396.10046 g/mol |
| LogP | 4.33 |
| Topological Polar Surface Area | 128.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.10046 |
| Heavy Atoms | 28 |
| Complexity | 1041.7 |
Chemical Identifiers
| CAS Number | 67906-34-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])N(CCC#N)CCO |
Product Overview
RefChem:272900 (CAS 67906-34-7), with molecular formula C18H16N6O3S and molecular weight 396.10046 g/mol. IUPAC: 3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
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