Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
Basic information
- CAS
433694-47-4- Standard SMILES
COC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1- InChIKey
AEALYBTZQMLFBC-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O3S2
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 339.9743122
Names & identifiers
- Preferred name
- Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
- IUPAC
- methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Names & synonyms
433694-47-4methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetateSMR000196863MLS000575827Methyl 2-[[5-(3-chlorobenzo[b]thien-2-yl)-1,3,4-oxadiazol-2-yl]thio]acetatemethyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetateF1137-0005methyl {[5-(3-chloro-1-benzothien-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetatemethyl {[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetatemethyl 2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetatecid_707664CHEMBL1521044
Show more names
BDBM93968DTXSID001144219HMS2328A11SMSSF-0063886STL012000AKOS001057872EBC-612030ST096682
Database identifiers
- CAS
433694-47-4- PubChem CID
- 707664
- DTXSID
DTXSID001144219- ChEMBL
CHEMBL1521044
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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