Basic information
- CAS
61852-41-3- Standard SMILES
CCCCN(CCC#N)c1ccc(N=Nc2nc3cc(Cl)c(Cl)cc3s2)cc1- InChIKey
YRHWNRQCJVPPIQ-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2N5S
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 431.0738222
Names & identifiers
- Preferred name
- 3-[Butyl[4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
- IUPAC
- 3-[N-butyl-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
- English name
- 3-[Butyl[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]amino]propanenitrile
- Molecular formula
- C20H19Cl2N5S
- Molecular weight
- 432.37
Names & synonyms
61852-41-33-(Butyl(4-(2-(5,6-dichloro-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile3-[Butyl[4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrileRefChem:275230Propanenitrile, 3-(butyl(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-Propanenitrile, 3-[butyl[4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl]amino]-DTXSID3069514YRHWNRQCJVPPIQ-UHFFFAOYSA-NPropanenitrile, 3-(butyl(4-(2-(5,6-dichloro-2-benzothiazolyl)diazenyl)phenyl)amino)-DB-3150433-(Butyl{4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile3-[Butyl [4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl ]amino]propanenitrile
Show more names
3-[Butyl[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]amino]propanenitrilePropanenitrile, 3-[butyl[4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]-
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 613.7 · 613.7±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 1.61 · 1.61±0.50(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[butyl[4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl]amino]- (61852-41-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[butyl[4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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