5-(4-methylphenyl)-2,3-dihydro-1H-1,2,4-triazole-3-thione
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Basic information
- CAS
64310-34-5- Standard SMILES
Cc1ccc(-c2nc(=S)[nH][nH]2)cc1- InChIKey
DEVMOFPQIPHPDM-UHFFFAOYSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- 5-(4-methylphenyl)-2,3-dihydro-1H-1,2,4-triazole-3-thione
- IUPAC
- 5-(4-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
- English name
- 3-(4-METHYLPHENYL)-1H-1,2,4-TRIAZOLE-5-THIOL
- Molecular formula
- C9H9N3S
- Molecular weight
- 191.25
Names & synonyms
64310-34-5RefChem:5304625-(4-methylphenyl)-2,3-dihydro-1H-1,2,4-triazole-3-thione830-700-95-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol3-(p-Tolyl)-1H-1,2,4-triazole-5-thiol3-(4-Methylphenyl)-1H-1,2,4-triazole-5-thiolMFCD008292165-(4-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thioneCHEMBL48657745-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione4H-1,2,4-triazole-3-thiol, 5-(4-methylphenyl)-
Show more names
ASISCHEM C34659TIMTEC-BB SBB0003005-P-TOLYL-4H-1,2,4-TRIAZOLE-3-THIOL4H-3-MERCAPTO-5(P-TOLYL)-[1,2,4]TRIAZOLE3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-methylphenyl)-
5-p-Tolyl-2,4-dihydro-[1,2,4]triazole-3-thione5-(4-methylphenyl)-1H-1,2,4-triazole-3-thiolSCHEMBL144245823-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thioneALBB-012673PCA31034BDBM50569318MFCD00755353
Database identifiers
- CAS
64310-34-5- PubChem CID
- 689102
- ChEMBL
CHEMBL4865774- EC Number
- 830-700-9
- Nikkaji
- J2.734.706A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H332-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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