4-Chloro-5-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-1,2-oxazol-3(2H)-one
Basic information
- CAS
89661-02-9- Standard SMILES
O=c1[nH]oc(CSCc2cccc(Cl)c2)c1Cl- InChIKey
OQWGTECDHZRQLX-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2NO2S
- Average molar mass
- 290.2 g/mol
- Monoisotopic mass
- 288.9731051
Names & identifiers
- Preferred name
- 4-Chloro-5-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-1,2-oxazol-3(2H)-one
- IUPAC
- 4-chloro-5-[(3-chlorophenyl)methylsulfanylmethyl]-1,2-oxazol-3-one
Names & synonyms
89661-02-94-Chloro-5-(((3-chlorobenzyl)thio)methyl)isoxazol-3(2H)-oneDTXSID205342364-Chloro-5-({[(3-chlorophenyl)methyl]sulfanyl}methyl)-1,2-oxazol-3(2H)-one
Database identifiers
- CAS
89661-02-9- PubChem CID
- 13279331
- DTXSID
DTXSID20534236
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…