Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-
Basic information
- CAS
824397-62-8- Standard SMILES
COc1ccc(NC(SC)=C(C#N)C#N)cc1OC- InChIKey
MRHRAKRBBJIEJB-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2S
- Average molar mass
- 275.33 g/mol
- Monoisotopic mass
- 275.07284784
Names & identifiers
- Preferred name
- Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-
- IUPAC
- 2-[(3,4-dimethoxyanilino)-methylsulfanylmethylidene]propanedinitrile
Names & synonyms
824397-62-8Propanedinitrile, [[(3,4-dimethoxyphenyl)amino](methylthio)methylene]-DTXSID30364804[(3,4-Dimethoxyanilino)(methylsulfanyl)methylidene]propanedinitrile
Database identifiers
- CAS
824397-62-8- PubChem CID
- 1704472
- DTXSID
DTXSID30364804
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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