6,6'-Disulfanediylbis(benzo[d]oxazol-2(3H)-one)
Basic information
- CAS
289499-47-4- Standard SMILES
O=c1[nH]c2ccc(SSc3ccc4[nH]c(=O)oc4c3)cc2o1- InChIKey
TZHBVUQISGPCBN-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4S2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 331.99254909
Names & identifiers
- Preferred name
- 6,6'-Disulfanediylbis(benzo[d]oxazol-2(3H)-one)
- IUPAC
- 6-[(2-oxo-3H-1,3-benzoxazol-6-yl)disulfanyl]-3H-1,3-benzoxazol-2-one
Names & synonyms
289499-47-46,6'-Disulfanediylbis(benzo[d]oxazol-2(3H)-one)DTXSID107252726,6'-Disulfanediyldi(1,3-benzoxazol-2(3H)-one)
Database identifiers
- CAS
289499-47-4- PubChem CID
- 57376751
- DTXSID
DTXSID10725272
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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