5-[4-(Prop-2-en-1-yloxy)phenyl]-1,3,4-oxadiazole-2-thiol
Basic information
- CAS
331002-91-6- Standard SMILES
C=CCOc1ccc(-c2n[nH]c(=S)o2)cc1- InChIKey
CKZKWXWCFHTIMB-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 5-[4-(Prop-2-en-1-yloxy)phenyl]-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(4-prop-2-enoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Names & synonyms
5-[4-(prop-2-en-1-yloxy)phenyl]-1,3,4-oxadiazole-2-thiol331002-91-65-(4-prop-2-enoxyphenyl)-3H-1,3,4-oxadiazole-2-thione5-(4-prop-2-enyloxyphenyl)-1,3,4-oxadiazole-2-thiolBAS 00334015Oprea1_017880Oprea1_370626MLS000687488CHEMBL1604346DTXSID801333729HMS2731O17GNA00291
Show more names
SBB041009AKOS000269741SMR000283512CS-0222334ST50214657EN300-1108595-(4-allyloxyphenyl)-3H-1,3,4-oxadiazole-2-thione5-{4-[(Prop-2-en-1-yl)oxy]phenyl}-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
331002-91-6- PubChem CID
- 3100742
- DTXSID
DTXSID801333729- ChEMBL
CHEMBL1604346
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Solubility24.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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