5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol
Basic information
- CAS
203268-64-8- Standard SMILES
Fc1ccc(-c2n[nH]c(=S)o2)cc1- InChIKey
XKMWJXQWLNRDRC-UHFFFAOYSA-N- Molecular formula
- C8H5FN2OS
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.01066212
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE
- Molecular formula
- C8H5FN2OS
- Molecular weight
- 196.2
Names & synonyms
5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol41421-13-0203268-64-8DTXSID10942482RefChem:530346DTXCID001370882861-088-15-(4-Fluoro-phenyl)-[1,3,4]oxadiazole-2-thiol5-(4-Fluorophenyl)-1,3,4-oxadiazole-2(3h)-thione5-(4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thioneMFCD031970581,3,4-Oxadiazole-2-thiol, 5-(4-fluorophenyl)-
Show more names
1,3,4-Oxadiazole-2(3H)-thione, 5-(4-fluorophenyl)-
CHEMBL2269228SCHEMBL19558149XKMWJXQWLNRDRC-UHFFFAOYSA-NALBB-025947EBC-13796SBB072761STK130013AKOS000122016
Database identifiers
- CAS
203268-64-8、41421-13-0- PubChem CID
- 674155
- DTXSID
DTXSID10942482- ChEMBL
CHEMBL2269228- EC Number
- 861-088-1
- Nikkaji
- J920.503I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 242.7 · 242.7±42.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H332-H335-H312-H315-H302-H412
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H332-H335-H312-H315-H302-H412
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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