Basic information
- CAS
103274-14-2- Standard SMILES
CCOc1ccc(-c2nc(=S)[nH][nH]2)cc1- InChIKey
QSZIYNKGEUXAHS-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 5-(4-ethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Names & synonyms
5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol103274-14-2RefChem:530319886-395-85-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thioneMLS-0048813.0001MLS000085688TimTec1_005116cid_676755CHEMBL1567359REGID_for_CID_676755SCHEMBL12218969
Show more names
BDBM465945-(4-ethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thioneHMS1548I12HMS2278E065-(4-Ethoxyphenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thioneSBB038868STK696521AKOS000267012
Database identifiers
- CAS
103274-14-2- PubChem CID
- 676755
- ChEMBL
CHEMBL1567359- EC Number
- 886-395-8
- Nikkaji
- J1.098.481E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
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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