Basic information
- CAS
81245-06-9- Standard SMILES
O=S1(=O)N=C(Sc2nc3ccccc3o2)c2ccccc21- InChIKey
YBKRSLIBNIADDB-UHFFFAOYSA-N- Molecular formula
- C14H8N2O3S2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 315.99763447
Names & identifiers
- Preferred name
- 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole
- IUPAC
- 3-(1,3-benzoxazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide
Names & synonyms
NSC36834081245-06-9DTXSID603210412-[(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazoleSTL287190AKOS022139662NSC-3683403-[(1,3-Benzoxazol-2-yl)sulfanyl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Database identifiers
- CAS
81245-06-9- PubChem CID
- 339928
- DTXSID
DTXSID60321041
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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