3-((3-Methylbenzyl)sulfonyl)-1H-1,2,4-triazole
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Basic information
- CAS
339105-87-2- Standard SMILES
Cc1cccc(CS(=O)(=O)c2ncn[nH]2)c1- InChIKey
OKDRHZLDFMZHOG-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2S
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.05719778
Names & identifiers
- Preferred name
- 3-((3-Methylbenzyl)sulfonyl)-1H-1,2,4-triazole
- IUPAC
- 5-[(3-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole
- English name
- 3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE
- Molecular formula
- C10H11N3O2S
- Molecular weight
- 237.28
Names & synonyms
339105-87-23-((3-Methylbenzyl)sulfonyl)-1H-1,2,4-triazole3-[(3-Methylbenzyl)sulfonyl]-1H-1,2,4-triazole3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfone5-[(3-methylphenyl)methylsulfonyl]-1H-1,2,4-triazoleMFCD015684553-[(3-methylphenyl)methanesulfonyl]-1H-1,2,4-triazole5-[(3-Methylphenyl)methanesulfonyl]-1H-1,2,4-triazoleHMS1365G19Bionet2_000503SCHEMBL14027280DTXSID70352801
Show more names
1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]sulfonyl]-
AKOS0023573208N-368SST103385CS-0365432ST503273245-(m-tolylmethylsulfonyl)-1H-1,2,4-triazole3-{[(3-methylphenyl)methyl]sulfonyl}-1H-1,2,4-triazole
Database identifiers
- CAS
339105-87-2- PubChem CID
- 735525
- DTXSID
DTXSID70352801- EC Number
- 681-970-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- CAS DataBase Reference
- 339105 · 339105-87-2
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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