Basic information
- CAS
87598-22-9- Standard SMILES
N#CC=S- InChIKey
UTFRCCFSSYHHPZ-UHFFFAOYSA-N- Molecular formula
- C2HNS
- Average molar mass
- 71.1 g/mol
- Monoisotopic mass
- 70.98297021
Names & identifiers
- Preferred name
- Thioformyl cyanide
- IUPAC
- methanethioyl cyanide
Names & synonyms
Thioformyl cyanideN.equiv.CCHSAcetonitrile, thioxo-Sulfanylideneacetonitrile87598-22-9SCHEMBL2770733SCHEMBL3301816DTXSID30335099
Database identifiers
- CAS
87598-22-9- PubChem CID
- 522882
- DTXSID
DTXSID30335099- Nikkaji
- J763.118I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 57.7
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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