Basic information
- CAS
50483-82-4- Standard SMILES
c1ccc(-c2ncsn2)cc1- InChIKey
PAPIULIUHITHDW-UHFFFAOYSA-N- Molecular formula
- C8H6N2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.02516937
Names & identifiers
- Preferred name
- 3-Phenyl-1,2,4-thiadiazole
- IUPAC
- 3-phenyl-1,2,4-thiadiazole
Names & synonyms
3-PHENYL-1,2,4-THIADIAZOLE50483-82-4DTXSID70198504RefChem:95306DTXCID60120995851-270-9SCHEMBL70355SCHEMBL908806SCHEMBL2876999SCHEMBL2881985SCHEMBL2881989ACA48382
Show more names
AKOS006372987EN300-138523
Database identifiers
- CAS
50483-82-4- PubChem CID
- 39680
- DTXSID
DTXSID70198504- EC Number
- 851-270-9
- Nikkaji
- J1.619.408E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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