1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
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Basic information
- CAS
142096-13-7- Standard SMILES
N#CC1=C(C#N)SCCOCCOCCS1- InChIKey
ODJAJVAAPDLRIQ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2S2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.03401998
Names & identifiers
- Preferred name
- 1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
- IUPAC
- 1,4-dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
- English name
- 1,4-DIOXA-7,10-DITHIACYCLODODEC-8-ENE-8,9-DICARBONITRILE
- Molecular formula
- C10H12N2O2S2
- Molecular weight
- 256.34
Names & synonyms
1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile142096-13-7DTXSID603573858,9-DICYANO-1,4-DIOXA-7,10-DITHIACYCLODODEC-8-ENE
Database identifiers
- CAS
142096-13-7- PubChem CID
- 853006
- DTXSID
DTXSID60357385
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 110 · 110-113 °C
- Boiling point
- 380.4 · 380.4±42.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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