3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-
Basic information
- CAS
6232-82-2- Standard SMILES
Cc1n[nH]c(=S)n1-c1ccccc1- InChIKey
VITIJXJNRKRDKF-UHFFFAOYSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-
- IUPAC
- 3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione
- English name
- 2,4-Triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3H-1
- Molecular formula
- C9H9N3S
- Molecular weight
- 191.25
Names & synonyms
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazole-3-thioneEINECS 228-342-84H-1,2,4-Triazole-3-thiol, 5-methyl-4-phenyl-DTXSID20641531,2,4-Triazole, 3-mercapto-4-phenyl-5-methyl-.DELTA.2-1,2,4-Triazoline-5-thione, 3-methyl-4-phenyl-RefChem:95715DTXCID8043315DELTA2-1,2,4-Triazoline-5-thione, 3-methyl-4-phenyl-228-342-8VITIJXJNRKRDKF-UHFFFAOYSA-N
Show more names
4-triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3h-25-METHYL-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE2,4-Triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3H-1
6232-82-25-methyl-4-phenyl-4H-1,2,4-triazole-3-thiol3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfideMFCD001861703-Methyl-4-phenyl-1H-1,2,4-triazole-5(4H)-thione5-methyl-4-phenyl-1,2,4-triazole-3-thiol3-Mercapto-5-methyl-4-phenyl-1,2,4-triazole
Database identifiers
- CAS
6232-82-2- PubChem CID
- 785151
- DTXSID
DTXSID2064153- ChEMBL
CHEMBL1597849- UNII
- EV89LV9G94
- EC Number
- 228-342-8
- Nikkaji
- J39.089E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
Solubility24.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- EPA Substance Registry System
- 3 H-1,2,4-Triazole-3-thione, · 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- (6232-82-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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