기본 정보
- CAS
31761-75-8- 표준 SMILES
CSS(C)(=O)=O- InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N- 분자식
- C2H6O2S2
- 평균 분자량
- 126.2 g/mol
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
- 현지명
- 메틸설포닐설파닐메탄
- 영어명
- methylsulfonylsulfanylmethane
- 분자식
- C2H6O2S2
- 분자량
- 0
이름 및 동의어
2949-92-0S-Methyl methanethiosulfonateS-Methyl methanesulfonothioateMethyl methanethiosulfonateMethyl methanethiolsulfonateMethanesulfonothioic acid, S-methyl estermethylsulfonylsulfanylmethaneS-Methyl methanethiosulphonateMethyl methanesulfonothioate(METHANESULFONYLSULFANYL)METHANEDTXSID8062739METHANESULFONIC ACID, THIO-, S-METHYL ESTER
이름 더 보기
메틸설포닐설파닐메탄
NSC-215450906Z2356UCHEBI:74357RefChem:157941DTXCID3038012220-970-0MMTSs-methyl methanethiolsulfonate
데이터베이스 식별자
- CAS
31761-75-8- 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
- 형식 전하
- 0
- 복잡도
- 106
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]
안전 및 규제
GHS 분류
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.
유해성 정보
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)
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
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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