Basic information
- CAS
2949-92-0- Standard SMILES
CSS(C)(=O)=O- InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N- Molecular formula
- C2H6O2S2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 125.98092143
Overview
S-methyl methanethiosulfonate is a sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol. It has a role as a metabolite. It is a sulfonic acid derivative and a thiosulfonate ester. It is functionally related to a methanethiol and a methanesulfonic acid.
Names & identifiers
- Preferred name
- S-Methyl methanethiosulfonate
- IUPAC
- methylsulfonylsulfanylmethane
- English name
- S-Methyl methanethiolsulfonate
- Molecular formula
- C2H6O2S2
- Molecular weight
- 126.2
Names & synonyms
2949-92-0S-Methyl methanethiosulfonateS-Methyl methanesulfonothioateMethyl methanethiosulfonateMethyl methanethiolsulfonateMethanesulfonothioic acid, S-methyl esterMMTSmethylsulfonylsulfanylmethaneS-Methyl methanethiosulphonateMethyl methanesulfonothioate(METHANESULFONYLSULFANYL)METHANEDTXSID8062739
Show more names
METHANETHIOSULFONIC ACID S-METHYL ESTERNSC 21545dimethyl thiosulfonateNeticonazole Impurity 14
METHANESULFONIC ACID, THIO-, S-METHYL ESTERNSC-215450906Z2356UCHEBI:74357RefChem:157941DTXCID3038012220-970-0s-methyl methanethiolsulfonate
Database identifiers
- CAS
2949-92-0- PubChem CID
- 18064
- DTXSID
DTXSID8062739- ChEMBL
CHEMBL1236925- ChEBI
CHEBI:74357- UNII
- 0906Z2356U
- EC Number
- 220-970-0
- Nikkaji
- J149.996C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Flavoring AgentsEU Flavoring substances
Solubilityslightly
Boiling Point266.00 to 267.00 °C. @ 760.00 mm Hg
Physical DescriptionClear yellow liquid with a stench; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 117 · 117.0-119.0 °C
- Boiling point
- 69 · 69-71 °C0.4 mm Hg(lit.)
- Density
- 1.337 g/mL · 1.337 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.513(lit.)
- FLAVIS Number
- 12.159 · 12.159 | Methyl methanethiosulfonate
- Flash point
- 190 °F · 190 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 750 mg · chloroform: soluble750mg + 5 ml Chloroformmg/mL, colorless to light greenish-yellow
- form
- clear liquid
- color
- Colorless to Red to Green
- Odor
- 0.1 % · at 0.10 % in propylene glycol. sulfurous pungent roasted
- Odor Type
- sulfurous
- BRN
- 1446059 · 1446059
- Stability
- Water Sensitive
- Major Application
- cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
- InChI
- 1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
- InChIKey
- XYONNSVDNIRXKZ-UHFFFAOYSA-N
- SMILES
- CSS(C)(=O)=O
- LogP
- 0.247 · 0.247 (est)
- CAS DataBase Reference
- 2949 · 2949-92-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 906 Z2356U · 0906Z2356U
- NIST Chemistry Reference
- S-methyl methanethiosulphonate(2949-92-0)
- EPA Substance Registry System
- Methanesulfonothioic acid, S-methyl ester (2949-92-0)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 227 · H227-H301+H311+H331-H315-H319
- Precautionary statements
- 210 · P210-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3334 · 3334
- WGK Germany
- 2 · 2
- RTECS
- 2765000 · PB2765000
- F
- 13 · 13
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29309090 · 29309090
- Storage Class
- 10 · 10 - Combustible liquids
- Toxicity
- 50 · mouse,LD50,intraperitoneal,9110ug/kg (9.11mg/kg),Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984.
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (96.7%): 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 1523 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Methanesulfonothioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 9.11 mg/kg; [RTECS] An irritant that may cause severe eye irritation; [Sigma-Aldrich MSDS] See 2-Hydroxypropyl methanethiosulfonate. See Methyl trifluoromethanesulfonate and Ethyl methanesulfonate.
Hazard Classes and CategoriesSkin Irrit. 2 (96.7%)
Safety data
- F
- 13
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- PB2765000
- ridadr
- 3334
- hs_code
- 29309090
- Toxicity
- mouse,LD50,intraperitoneal,9110ug/kg (9.11mg/kg),Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984.
- risk_code
- 36-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H227-H301+H311+H331-H315-H319
- Precautionary statements
- P210-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
UsesMMTS (methyl methanethiosulfonate) is a small compound that reversibly blocks cysteines and other sulfhydryl groups, enabling the study of enzyme activation and other protein functions. [Pierce Protein Biology Products]
General Manufacturing InformationMethanesulfonothioic acid, S-methyl ester: ACTIVE
Applications
Usescarbonyl reactive homobifunctional cross-linking reagent cleavable with periodate
UsesS-Methyl methanethiosulfonate was used as sulfenylating agent for β-keto sulfoxides, methylene compounds, half-esters of malonic acids and aryl Grignard reagents. It was also used as a reagent to trap the natural thiol-disulfide state of the proteins.
UsesS-Methyl methanethiolsulfonate is used for the rapid and selective modification of sulfhydryl groups of enzymes and it is also useful for mapping the pore-lining regions of the ryanodine receptor.
General DescriptionInteraction of S-methyl methanethiosulfonate (MMTS) with dipalmitoylphosphatidylcholine (DPPC) bilayers has been investigated by FTIR and surface-enhanced Raman spectroscopy.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [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]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
南京芊亿达新材料科技有限公司15384069853
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
无锡惠飞生物医药技术有限公司0510-0510-83593305
希仕化工科技(上海)有限公司021-60499358 13661956116
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Additional notes
DefinitionChEBI: A sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol.
Related reactions
33 records
Compound notes
Loading…