Propanedinitrile, 1,3-dithietan-2-ylidene-
Basic information
- CAS
6008-60-2- Standard SMILES
N#CC(C#N)=C1SCS1- InChIKey
ZKJSHCHPIMUIFQ-UHFFFAOYSA-N- Molecular formula
- C5H2N2S2
- Average molar mass
- 154.2 g/mol
- Monoisotopic mass
- 153.96594042
Names & identifiers
- Preferred name
- Propanedinitrile, 1,3-dithietan-2-ylidene-
- IUPAC
- 2-(1,3-dithietan-2-ylidene)propanedinitrile
Names & synonyms
Propanedinitrile, 1,3-dithietan-2-ylidene-6008-60-2DTXSID7073359RefChem:1096744DTXCID4042753Solvent Blue 58CP 283781,3-Dithietan-2-ylidenepropanedinitrile1,3-Dithietan-delta(2,alpha)-malononitrile1,3-Dithietane-delta(2,alpha)-malononitrileSCHEMBL9694468NSC179789
Show more names
NSC 179789NSC-179789(1,3-Dithietan-2-ylidene)propanedinitrile
Database identifiers
- CAS
6008-60-2- PubChem CID
- 80109
- DTXSID
DTXSID7073359
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 225
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Related reactions
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Compound notes
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