Basic information
- CAS
38042-13-6- Standard SMILES
N#CC(=C1SCS1)[N+](=O)[O-]- InChIKey
NOKRHONZSZUEHQ-UHFFFAOYSA-N- Molecular formula
- C4H2N2O2S2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 173.95576966
Names & identifiers
- Preferred name
- (1,3-Dithietan-2-ylidene)(nitro)acetonitrile
- IUPAC
- 2-(1,3-dithietan-2-ylidene)-2-nitroacetonitrile
Names & synonyms
38042-13-6(1,3-Dithietan-2-ylidene)(nitro)acetonitrileDTXSID70317571RefChem:204340DTXCID10268694NSC318460NSC-318460Acetonitrile,3-dithietan-2-ylidenenitro-
Database identifiers
- CAS
38042-13-6- PubChem CID
- 330355
- DTXSID
DTXSID70317571
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…