S-methyl-S-(2-methylphenyl) NH-sulfoximine
Basic information
- CAS
121034-23-9- Standard SMILES
Cc1ccccc1S(C)(=N)=O- InChIKey
YXYQWKDOYMFWKK-UHFFFAOYSA-N- Molecular formula
- C8H11NOS
- Average molar mass
- 169.25 g/mol
- Monoisotopic mass
- 169.05613515
Names & identifiers
- Preferred name
- S-methyl-S-(2-methylphenyl) NH-sulfoximine
- IUPAC
- imino-methyl-(2-methylphenyl)-oxo-λ6-sulfane
Names & synonyms
121034-23-9S-Methyl-S-(2-methylphenyl) NH-sulfoximineRefChem:884262836-369-7Imino(methyl)(2-methylphenyl)-lambda6-sulfanone1-methyl-2-(S-methylsulfonimidoyl)benzeneimino(methyl)(o-tolyl)-lambda6-sulfanoneMFCD30345129imino-methyl-(o-tolyl)-oxo-lambda6-sulfaneimino-methyl-(2-methylphenyl)-oxo-lambda6-sulfaneSCHEMBL20149699SCHEMBL20448902
Show more names
methylphenyl)-S-methyl sulfoximineWEA03423GS0095imino(methyl)(o-tolyl)-l6-sulfanoneAKOS040767709Imino(methyl)(2-methylphenyl)-sulfanoneSulfoximine, S-methyl-S-(2-methylphenyl)-imino(methyl)(2-methylphenyl)-|E?-sulfanone
Database identifiers
- CAS
121034-23-9- PubChem CID
- 642006
- EC Number
- 836-369-7
- Nikkaji
- J3.246.760A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 230
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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