S-Methyl methanethiosulfonate

HCID 18064CAS 2949-92-0
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기본 정보

표준 SMILES
CSS(C)(=O)=O
InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N
분자식
C2H6O2S2
평균 분자량
126.2 g/mol
단동위원소 질량
125.98092143

개요

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.

이름 및 식별자

우선 이름
S-Methyl methanethiosulfonate
IUPAC
methylsulfonylsulfanylmethane
영어명
S-Methyl methanethiolsulfonate
분자식
C2H6O2S2
분자량
126.2

이름 및 동의어

2949-92-0S-Methyl methanethiosulfonateS-Methyl methanesulfonothioateMethyl methanethiosulfonateMethyl methanethiolsulfonateMethanesulfonothioic acid, S-methyl esterMMTSmethylsulfonylsulfanylmethaneS-Methyl methanethiosulphonateMethyl methanesulfonothioate(METHANESULFONYLSULFANYL)METHANEDTXSID8062739
이름 더 보기
METHANETHIOSULFONIC ACID S-METHYL ESTERNSC 21545dimethyl thiosulfonateNeticonazole Impurity 14
METHANESULFONIC ACID, THIO-, S-METHYL ESTERNSC-215450906Z2356UCHEBI:74357RefChem:157941DTXCID3038012220-970-0s-methyl methanethiolsulfonate

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0
극성 표면적
67.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
117 · 117.0-119.0 °C
끓는 점
69 · 69-71 °C0.4 mm Hg(lit.)
밀도
1.337 g/mL · 1.337 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.513(lit.)
인화점
190 °F · 190 °F
저장 조건
2 · 2-8°C

화학적 성질

Light Yellow Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
PB2765000
ridadr
3334
독성
mouse,LD50,intraperitoneal,9110ug/kg (9.11mg/kg),Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984.
HS 번호
29309090

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

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

응용 분야

용도S-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.

일반 설명Interaction of S-methyl methanethiosulfonate (MMTS) with dipalmitoylphosphatidylcholine (DPPC) bilayers has been investigated by FTIR and surface-enhanced Raman spectroscopy.

상·하류 제품 정보

공급사50 곳

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]

추가 설명

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

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