2-Methylthio-2-methylpropionaldoxime

HCID 15436

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1646-75-9
표준 SMILES: CSC(C)(C)C=NO
InChIKey: ZFGMCJAXIZTVJA-UHFFFAOYSA-N
분자식: C5H11NOS
평균 분자량: 133.21 g/mol
단동위원소 질량: 133.05613497

개요

See also: Aldicarb oxime (annotation moved to).

이름 및 식별자

우선 이름: 2-Methylthio-2-methylpropionaldoxime
IUPAC: N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
영어명: ALDICARB-OXIME
분자식: C5H11NOS
분자량: 133.21

이름 및 동의어

N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamineSCHEMBL9832743CHEMBL31882822-methylthio-2-methylpropionaldoxime2-Methyl-2(methylthio)-propanaloxim2-methyl-2-(methylthio) propionaldehyde oxime(NZ)-N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamineTemik OximeALDICARB-OXIME2-methyl-2-(methylthio)-propanal oxime2-methyl-2-(methylsulfanyl)propanaldoximePropanal, 2-methyl-2-(methylthio)-, oxime

이름 더 보기

Aldicarb-oxime, 10 μg /μL in acetonitrile2-methyl-2-(methylthio)propionaldehydeoximeLA10079500ALAldicarb-oximE10μg/mLin AcetonitPropionaldehyde, 2-methyl-2-(methylthio)-, oxime.N-[2-methyl-2-(methylsulfanyl)propylidene]hydro xylamine

데이터베이스 식별자

CAS: 1646-75-9
PubChem CID: 15436
DTXSID: DTXSID9024431
ChEMBL: CHEMBL3188282

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 90.4

물리화학적 성질

녹는점: 21.1 °C · 21.1°C
끓는 점: 210 °C · 210°C
밀도: 1.037 · 1.037 (estimate)
굴절률: 1.5216 · 1.5216 (estimate)
저장 조건: 0 · 0-6°C
물리적 상태: 액체
EPA: Aldicarb oxime (1646-75-9)

안전 및 규제

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-24441
유해 물질 데이터: 1646-75-9(Hazardous Substances Data)

화학 및 산업

응용 분야 · 2건

용도Temik Oxime is an intermediate in the synthesis of Aldicarb-d3 Sulfoxide (A514667), which is a labeled Aldicarb Sulfoxide (A514665). Aldicarb Sulfoxide is an analog of Aldicarb (A514650) detected in agricultural products as pesticide residue.

일반 설명Clear colorless,viscous liquid with an unpleasant sulfurous or musty odor.

상·하류 제품 정보

상류 원료

하류 제품

알디카브

공급사17 곳

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추가 설명

정의ChEBI: The oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb.