Basic information
- CAS
27106-16-7- Standard SMILES
S=c1[nH]nc(-c2ccco2)n1-c1ccccc1- InChIKey
CNWLGJLWFORSRE-UHFFFAOYSA-N- Molecular formula
- C12H9N3OS
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.04663309
Names & identifiers
- Preferred name
- 5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 3-(furan-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
27106-16-75-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazole-3-thiol5-(2-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol3-(furan-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione5-(2-furyl)-4-phenyl-1,2,4-triazole-3-thiolSR-01000418050ChemDiv1_020550ChemDiv1_021314SCHEMBL5334902HMS645G02HMS647I18
Show more names
CBA10616SBB038482STK256786AKOS000100190AKOS000348108ST065720CS-0219255EN300-03527
Database identifiers
- CAS
27106-16-7- PubChem CID
- 823751
- EC Number
- 168-678-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
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, 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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