Basic information
- CAS
79770-56-2- Standard SMILES
c1cc2c3c(csc3c1)ON2- InChIKey
ABOYLFWVNLJYIY-UHFFFAOYSA-N- Molecular formula
- C8H5NOS
- Average molar mass
- 163.2 g/mol
- Monoisotopic mass
- 163.00918496
Names & identifiers
- Preferred name
- 1H-Thieno[4,3,2-cd][2,1]benzoxazole
- IUPAC
- 3-oxa-6-thia-2-azatricyclo[5.3.1.04,11]undeca-1(11),4,7,9-tetraene
- English name
- 1H-Thieno[4,3,2-cd]-2,1-benzisoxazole(9CI)
- Molecular formula
- C8H5NOS
- Molecular weight
- 0
Names & synonyms
79770-56-21H-Thieno[4,3,2-cd][2,1]benzoxazole1H-THIENO[4,3,2-CD]-2,1-BENZISOXAZOLEDTXSID80703820DB-2597081H-Thieno[4,3,2-cd]-2,1-benzisoxazole(9CI)
Database identifiers
- CAS
79770-56-2- PubChem CID
- 53472005
- DTXSID
DTXSID80703820
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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