メタンチオスルホン酸S-メチル

S-Methyl methanethiosulfonate

HCID 18064
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基本情報

CAS
2949-92-0
標準SMILES
CSS(C)(=O)=O
InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N
分子式
C2H6O2S2
平均分子量
126.2 g/mol
単同位体質量
125.98092143

概要

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.

名称と識別子

優先名称
S-Methyl methanethiosulfonate
IUPAC
methylsulfonylsulfanylmethane
現地名
メタンチオスルホン酸S-メチル
英語名
S-Methyl methanethiolsulfonate
分子式
C2H6O2S2
分子量
126.2

名称と別名

2949-92-0S-Methyl methanethiosulfonateS-Methyl methanesulfonothioateMethyl methanethiosulfonateMethyl methanethiolsulfonateMethanesulfonothioic acid, S-methyl esterMMTSmethylsulfonylsulfanylmethaneS-Methyl methanethiosulphonateMethyl methanesulfonothioate(METHANESULFONYLSULFANYL)METHANEDTXSID8062739
名称をさらに表示
メタンチオスルホン酸S-メチルメタンチオスルホニルメチルメタンスルホノチオ酸S-メチルメチル(メチルスルホニル)スルフィドメチル(メチルチオ)スルホンメタンチオスルホン酸 S-メチルメタンチオスルホン酸メチル(メタンスルホニルスルファニル)メタンMETHANETHIOSULFONIC ACID S-METHYL ESTERNSC 21545dimethyl thiosulfonateNeticonazole Impurity 14
METHANESULFONIC ACID, THIO-, S-METHYL ESTERNSC-215450906Z2356UCHEBI:74357RefChem:157941DTXCID3038012220-970-0s-methyl methanethiolsulfonate

データベース識別子

CAS
2949-92-0
PubChem CID
18064
DTXSID
DTXSID8062739
ChEMBL
CHEMBL1236925
ChEBI
CHEBI:74357
UNII
0906Z2356U
EC Number
220-970-0
Nikkaji
J149.996C

物性

構造計算による物性

XLogP
0
極性表面積
67.8 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
1
重原子数
6

実験および物理化学的性質

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]

物理化学的性質

融点
117 · 117.0-119.0 °C
沸点
69 · 69-71 °C0.4 mm Hg(lit.)
比重(密度)
1.337 g/mL · 1.337 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.513(lit.)
闪点
190 °F · 190 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Light Yellow Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

F
13
wgk
2
tsca
TSCA listed
rtecs
PB2765000
ridadr
3334
毒性
mouse,LD50,intraperitoneal,9110ug/kg (9.11mg/kg),Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984.

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

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

応用分野

使用S-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.

一般的な説明Interaction of S-methyl methanethiosulfonate (MMTS) with dipalmitoylphosphatidylcholine (DPPC) bilayers has been investigated by FTIR and surface-enhanced Raman spectroscopy.

調製方法

純化方法Purify it by fractional distillation under reduced pressure, IR: 1350, 750 cm-1 . [Applegate et al. J Org Chem 38 943 1973, Beilstein 4 IV 31.]

上流・下流製品情報

サプライヤー100 社

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]

補足説明

定義ChEBI: A sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol.

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