Basic information
- CAS
1456-21-9- Standard SMILES
c1ccc(-c2nnc(-c3ccccc3)s2)cc1- InChIKey
LKZWCRGTHNZTQN-UHFFFAOYSA-N- Molecular formula
- C14H10N2S
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.0564695
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 2,5-diphenyl-
- IUPAC
- 2,5-diphenyl-1,3,4-thiadiazole
- English name
- 2,5-Diphenyl-1,3,4-thiadiazole
- Molecular formula
- C14H10N2S
- Molecular weight
- 238.31
Names & synonyms
2,5-Diphenyl-1,3,4-thiadiazole1,3,4-THIADIAZOLE, 2,5-DIPHENYL-BRN 0170386DTXSID301631124-27-00-07214 (Beilstein Handbook Reference)RefChem:72253DTXCID1085603635-439-2LKZWCRGTHNZTQN-UHFFFAOYSA-N1456-21-9L 15402,5-Difenil-1,3,4-tiadiazolo
Show more names
2,5-Difenil-1,3,4-tiadiazolo [Italian]2,5diPhThadiazoSCHEMBL711540SCHEMBL711541SCHEMBL9018567CHEMBL15921302,5-Diphenyl-[1,3,4]thiadiazoleAKOS024350286
Database identifiers
- CAS
1456-21-9- PubChem CID
- 15080
- DTXSID
DTXSID30163112- ChEMBL
CHEMBL1592130- EC Number
- 635-439-2
- Nikkaji
- J119.649I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP4.2
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 403.1 · 403.1±28.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- -0.44 · -0.44±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
上海宣月科技有限公司15216675652 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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