트리메틸술포늄 메틸 설페이트

Trimethylsulfonium methyl sulfate

HCID 2760871CAS 2181-44-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COS(=O)(=O)[O-].C[S+](C)C
InChIKey: ANXKZXRDXAZQJT-UHFFFAOYSA-M
분자식: C4H12O4S2
평균 분자량: 188.3 g/mol
단동위원소 질량: 188.01770086

이름 및 식별자

우선 이름: Trimethylsulfonium methyl sulfate
IUPAC: methyl sulfate;trimethylsulfanium
현지명: 트리메틸술포늄 메틸 설페이트
영어명: Trimethylsulfonium methyl sulfate
분자식: C4H12O4S2
분자량: 188.26

이름 및 동의어

Trimethylsulfonium methyl sulfate2181-44-4DTXSID80375389RefChem:386486DTXCID40326418627-446-4trimethylsulfonium methylsulfateTRIMETHYLSULFONIUMMETHYLSULFATEmethyl sulfate;trimethylsulfaniumMFCD00012205trimethylsulfanium methyl sulfateSCHEMBL243128

이름 더 보기

트리메틸술포늄메틸설페이트트라이메틸설포늄 메틸 황산염Trimethylsulfonium 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

데이터베이스 식별자

CAS: 2181-44-4
PubChem CID: 2760871
DTXSID: DTXSID80375389
EC Number: 627-446-4

물성

구조 계산 물성

극성 표면적: 75.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 98.7

물리화학적 성질

녹는점: 92 · 92-94 °C (lit.)
물리적 상태: 결정성 분말
색상: 하얀색
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

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.