1-[3-(1,3-Benzothiazol-2-yl)triaz-2-en-1-ylidene]-N,N,N',N'-tetraethyl-1-phenyl-lambda~5~-phosphanediamine
Basic information
- CAS
5806-32-6- Standard SMILES
CCN(CC)P(=NN=Nc1nc2ccccc2s1)(c1ccccc1)N(CC)CC- InChIKey
ODKIOWSXMWVSQZ-UHFFFAOYSA-N- Molecular formula
- C21H29N6PS
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19120312
Names & identifiers
- Preferred name
- 1-[3-(1,3-Benzothiazol-2-yl)triaz-2-en-1-ylidene]-N,N,N',N'-tetraethyl-1-phenyl-lambda~5~-phosphanediamine
- IUPAC
- N-[(1,3-benzothiazol-2-yliminohydrazinylidene)-(diethylamino)-phenyl-λ5-phosphanyl]-N-ethylethanamine
Names & synonyms
1-[3-(1,3-Benzothiazol-2-yl)triaz-2-en-1-ylidene]-N,N,N',N'-tetraethyl-1-phenyl-lambda~5~-phosphanediamineDTXSID00410620
Database identifiers
- CAS
5806-32-6- PubChem CID
- 5215933
- DTXSID
DTXSID00410620
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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