5-Isocyano-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
Basic information
- CAS
177192-84-6- Standard SMILES
[C-]#[N+]c1cc(=O)nc2scnn12- InChIKey
NMJYUUOZOOIOKE-UHFFFAOYSA-N- Molecular formula
- C6H2N4OS
- Average molar mass
- 178.17 g/mol
- Monoisotopic mass
- 177.99493187
Names & identifiers
- Preferred name
- 5-Isocyano-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
- IUPAC
- 5-isocyano-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Names & synonyms
5-Isocyano-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-oneDTXSID001214715177192-84-65-Isocyano-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Database identifiers
- CAS
177192-84-6- PubChem CID
- 21780146
- DTXSID
DTXSID001214715
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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