5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
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Basic information
- CAS
19982-38-8- Standard SMILES
CCOc1ccccc1-c1n[nH]c(=S)o1- InChIKey
VTXLLACKNPVAJW-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Overview
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is an aromatic ether.
Names & identifiers
- Preferred name
- 5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(2-ETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
- Molecular formula
- C10H10N2O2S
- Molecular weight
- 222.26
Names & synonyms
5-(2-ethoxyphenyl)-1,3,4-oxadiazole-2-thiol19982-38-85-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thioneSMR000144651MLS0005386141,3,4-Oxadiazole-2(3H)-thione, 5-(2-ethoxyphenyl)-CHEMBL1605444BDBM43603cid_2235547DTXSID30367133CHEBI:116745HMS2452G06
Show more names
UAA98238STL296140AKOS0004063555-o-phenetyl-3H-1,3,4-oxadiazole-2-thioneEN300-12287SR-01000298455SR-01000298455-15-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
19982-38-8- PubChem CID
- 2235547
- DTXSID
DTXSID30367133- ChEMBL
CHEMBL1605444- ChEBI
CHEBI:116745
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 195 · 195-197 °C
- Boiling point
- 314.4 · 314.4±44.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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