Basic information
- CAS
61488-78-6- Standard SMILES
N#CCCNc1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl- InChIKey
NWEQNTISLULYNS-UHFFFAOYSA-N- Molecular formula
- C16H11ClN6O2S
- Average molar mass
- 386.8 g/mol
- Monoisotopic mass
- 386.0352725
Names & identifiers
- Preferred name
- Propanenitrile, 3-((2-chloro-4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-
- IUPAC
- 3-[2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
- English name
- 3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile
- Molecular formula
- C16H11ClN6O2S
- Molecular weight
- 386.82
Names & synonyms
EINECS 262-817-0Propanenitrile, 3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-2-(3-Chloro-4-(N-cyanoethylamino)phenylazo)-6-nitrobenzothiazolePropanenitrile, 3-((2-chloro-4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)-Propanenitrile, 3-((2-chloro-4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-Propanenitrile, 3-[[2-chloro-4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-RefChem:86903361488-78-6DTXSID9069477NWEQNTISLULYNS-UHFFFAOYSA-NDB-304369NS00034702
Show more names
3-[[2-Chloro-4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propanenitrile3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile
3-[[2-Chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl ]amino]propiononitrile3-{2-Chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino}propanenitrile
Database identifiers
- CAS
61488-78-6- PubChem CID
- 109092
- DTXSID
DTXSID9069477- EC Number
- 262-817-0
- Nikkaji
- J279.649J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]- (61488-78-6)
- 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-[[2-chloro-4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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