Basic information
- CAS
2181-44-4- Standard SMILES
COS(=O)(=O)[O-].C[S+](C)C- InChIKey
ANXKZXRDXAZQJT-UHFFFAOYSA-M- Molecular formula
- C4H12O4S2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.01770086
Names & identifiers
- Preferred name
- Trimethylsulfonium methyl sulfate
- IUPAC
- methyl sulfate;trimethylsulfanium
- English name
- Trimethylsulfonium methyl sulfate
- Molecular formula
- C4H12O4S2
- Molecular weight
- 188.26
Names & synonyms
Trimethylsulfonium methyl sulfate2181-44-4DTXSID80375389RefChem:386486DTXCID40326418627-446-4trimethylsulfonium methylsulfateTRIMETHYLSULFONIUMMETHYLSULFATEmethyl sulfate;trimethylsulfaniumMFCD00012205trimethylsulfanium methyl sulfateSCHEMBL243128
Show more names
Trimethylsulfonium methosulfatemethylsulfate,trimethylsulfaniumTrimethylsulphoniumMethylsulphate99%Trimethylsulfonium methylsulfate,98%Trimethylsulfoxonium methyl chlorideTrimethylsulfonium methyl sulfate 98%Trimethylsulphonium Methylsulphate 99%
methyl sulfate;trimethylsulfoniumtrimethylsulphonium methylsulphateC4H12O4S2trimethylsulfonium methyl sulphatetrimethyl sulfonium methyl sulfatetrimethylsulphonium methyl-sulphateAKOS025294919FT183931
Database identifiers
- CAS
2181-44-4- PubChem CID
- 2760871
- DTXSID
DTXSID80375389- EC Number
- 627-446-4
Properties
Computed structural properties
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.7
Physicochemical properties
- Melting point
- 92 · 92-94 °C (lit.)
- form
- Crystalline Powder
- color
- White
- InChI
- InChI=1S/C3H9S.CH4O4S/c1-4(2)3;1-5-6(2,3)4/h1-3H3;1H3,(H,2,3,4)/q+1;/p-1
- InChIKey
- ANXKZXRDXAZQJT-UHFFFAOYSA-M
- SMILES
- [S+](C)(C)C.S([O-])(=O)(=O)OC
- UNSPSC Code
- 12352108 · 12352108
- 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
- HS Code
- 29309090 · 29309090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesUseful reagent for the methylenation of aldehydes and ketones to form epoxides.
Upstream & downstream products
Downstream products
Suppliers23 total
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
17 records
Compound notes
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