Basic information
- CAS
74239-96-6- Standard SMILES
CCCCCCN(CCCCCC)c1ccc(C=C2C(=C(C#N)C#N)c3ccccc3S2([O])[O])c(C)c1- InChIKey
ZRLYFONGBAKSBB-UHFFFAOYSA-N- Molecular formula
- C31H37N3O2S
- Average molar mass
- 515.7 g/mol
- Monoisotopic mass
- 515.26064861
Names & identifiers
- Preferred name
- 2-(2-((4-(Dihexylamino)-2-methylphenyl)methylene)-1,1-dioxidobenzo(b)thien-3(2H)-ylidene)propanedinitrile
- IUPAC
- 2-[2-[[4-(dihexylamino)-2-methylphenyl]methylidene]-1,1-dihydroxy-1-benzothiophen-3-ylidene]propanedinitrile
Names & synonyms
74239-96-62-(2-((4-(Dihexylamino)-2-methylphenyl)methylene)-1,1-dioxidobenzo(b)thien-3(2H)-ylidene)propanedinitrile2-[2-[[4-(Dihexylamino)-2-methylphenyl]methylene]-1,1-dioxidobenzo[b]thien-3(2H)-ylidene]propanedinitrileRefChem:250270C.I. Disperse Blue 354SCHEMBL31701092SCHEMBL39772096DTXSID50868293(2-{[4-(Dihexylamino)-2-methylphenyl]methylidene}-1,1-dioxo-1,2-dihydro-3H-1lambda~6~-benzothiophen-3-ylidene)propanedinitrile
Database identifiers
- CAS
74239-96-6- PubChem CID
- 5489864
- DTXSID
DTXSID50868293
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 878
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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