Basic information
- CAS
113079-26-8- Standard SMILES
N#CSCC#CI- InChIKey
AKYAKNXFOAIZBO-UHFFFAOYSA-N- Molecular formula
- C4H2INS
- Average molar mass
- 223.04 g/mol
- Monoisotopic mass
- 222.89527
Names & identifiers
- Preferred name
- 3-Iodoprop-2-yn-1-yl thiocyanate
- IUPAC
- 3-iodoprop-2-ynyl thiocyanate
Names & synonyms
113079-26-83-Iodoprop-2-yn-1-yl thiocyanateSCHEMBL9803246DTXSID30705657
Database identifiers
- CAS
113079-26-8- PubChem CID
- 53648366
- DTXSID
DTXSID30705657
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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