2h-Thiocino[4,5-d]isoxazole
Basic information
- CAS
94043-70-6- Standard SMILES
c1csccc2c[nH]oc-2c1- InChIKey
RVMWPDWTMRCZFR-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.02483502
Names & identifiers
- Preferred name
- 2h-Thiocino[4,5-d]isoxazole
- IUPAC
- 2H-thiocino[4,5-d][1,2]oxazole
- English name
- 2H-Thiocino[4,5-d]isoxazole(9CI)
- Molecular formula
- C8H7NOS
- Molecular weight
- 0
Names & synonyms
2h-thiocino[4,5-d]isoxazole94043-70-6DTXSID206678362H-Thiocino[4,5-d][1,2]oxazole2H-Thiocino[4,5-d]isoxazole(9CI)
Database identifiers
- CAS
94043-70-6- PubChem CID
- 45099298
- DTXSID
DTXSID20667836
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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