Basic information
- CAS
101756-26-7- Standard SMILES
N#CC(C#N)=Cc1ccc(SCc2ccc(Cl)cc2)cc1- InChIKey
FAFMTCHNAHQNJC-UHFFFAOYSA-N- Molecular formula
- C17H11ClN2S
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0331472
Names & identifiers
- Preferred name
- Malononitrile, (p-(p-chlorobenzylthio)benzylidene)-
- IUPAC
- 2-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]methylidene]propanedinitrile
Names & synonyms
MALONONITRILE, (p-(p-CHLOROBENZYLTHIO)BENZYLIDENE)-4-(p-Chlorobenzylthio)benzylidenemalononitrile101756-26-7DTXSID10144161RefChem:351886DTXCID6066652NSC1359902-(4-((4-Chlorobenzyl)thio)benzylidene)malononitrileNSC-135990[(4-{[(4-Chlorophenyl)methyl]sulfanyl}phenyl)methylidene]propanedinitrile2-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]methylene]propanedinitrile
Database identifiers
- CAS
101756-26-7- PubChem CID
- 58844
- DTXSID
DTXSID10144161- Nikkaji
- J147.618A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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