Basic information
- CAS
321973-68-6- Standard SMILES
c1ccc(Oc2cccc(CSc3nc4ccccc4o3)c2)cc1- InChIKey
SNKAPUKLIQGXGP-UHFFFAOYSA-N- Molecular formula
- C20H15NO2S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.08234989
Names & identifiers
- Preferred name
- 2-{[(3-Phenoxyphenyl)methyl]sulfanyl}-1,3-benzoxazole
- IUPAC
- 2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole
- English name
- 2-(3-Phenoxy-benzylsulfanyl)-benzooxazole
- Molecular weight
- 0
Names & synonyms
2-{[(3-phenoxyphenyl)methyl]sulfanyl}-1,3-benzoxazoleTimTec1_004219Oprea1_653063Oprea1_874613SCHEMBL2495026HMS1545P17AKOS0016398972-(3-Phenoxy-benzylsulfanyl)-benzooxazoleEU-0009415ST501013233-(benzoxazol-2-ylthiomethyl)-1-phenoxybenzeneSR-01000474777
Show more names
SR-01000474777-1BRD-K90202911-001-01-4Z56794725
Database identifiers
- CAS
321973-68-6- PubChem CID
- 682803
- EC Number
- 163-012-6
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 388
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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