Basic information
- Standard SMILES
C[S+](C)C.[I-]- InChIKey
VFJYIHQDILEQNR-UHFFFAOYSA-M- Molecular formula
- C3H9IS
- Average molar mass
- 204.08 g/mol
- Monoisotopic mass
- 203.94696929
Names & identifiers
- Preferred name
- Trimethylsulfonium iodide
- IUPAC
- trimethylsulfanium iodide
- English name
- Trimethylsulfonium iodide
- Molecular formula
- C3H9IS
- Molecular weight
- 204.07
Names & synonyms
Trimethylsulfonium iodide2181-42-2Trimethylsulphonium iodideSulfonium, trimethyl-, iodideSulfonium, trimethyl-, iodide (1:1)4Z1LIZ2LUNNSC-36713DTXSID30883803RefChem:191822DTXCID001023289218-555-4Trimethylsulfoniumiodide
Show more names
Trimethylsulfonium iodinefonium IodidetrimethylsulfaniumTrimethylsulfoniumiodidtrimethylsulfone iodidetrimethyl-sulfoniuiodiderimethylsulfanium,iodide
trimethylsulfanium iodideMFCD00011632trimethylsulfanium;iodidetrimethyl sulfonium iodideNSC36713AKOS000121145D92490Q2453392
Database identifiers
- CAS
2181-42-2- PubChem CID
- 75127
- DTXSID
DTXSID30883803- ChEMBL
CHEMBL25340- UNII
- 4Z1LIZ2LUN
- EC Number
- 218-555-4
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionColorless crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 215 · 215-220 °C (lit.)
- Density
- 1.6554 · 1.6554 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in water, alcohol, THF, DMSO
- form
- Crystalline Powder, Crystals and/or Chunks
- color
- White to yellow
- Water Solubility
- soluble
- Sensitive
- Light Sensitive
- BRN
- 3555192 · 3555192
- InChI
- InChI=1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
- InChIKey
- VFJYIHQDILEQNR-UHFFFAOYSA-M
- SMILES
- [S+](C)(C)C.[I-]
- CAS DataBase Reference
- 2181 · 2181-42-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 Z1LIZ2LUN · 4Z1LIZ2LUN
- NIST Chemistry Reference
- Trimethylsulfonium iodide(2181-42-2)
- EPA Substance Registry System
- Trimethylsulfonium iodide (2181-42-2)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 8750000 · WR8750000
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29309070 · 29309070
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 09-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33060
Trimethylsulphonium iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 18 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- WR8750000
- hs_code
- 29309070
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSulfonium, trimethyl-, iodide (1:1): ACTIVE
Applications
UsesTrimethylsulfonium iodide is a salt that is usually dissolved in strong base in order to synthesize epoxides in-situ. Trimethylsulfonium iodide also has the potential to inhibit human placental diamine oxidase.
Preparation methods
PreparationTrimethylsulfoxonium iodide may be prepared by the reaction of dimethyl sulfoxide and iodomethane:(CH3)2SO + CH3I → (CH3)3SO+IAfter standing overnight, the resulting solid white cake is crushed and recrystallized from absolute ethanol to give pure trimethylsulfonium iodide.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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