4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone

HCID 13469242

노트 반응

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기본 정보

CAS: 96490-18-5
표준 SMILES: CC(C)(C)n1ncc(S)c(Cl)c1=O
InChIKey: GLGQMFICPMIOHO-UHFFFAOYSA-N
분자식: C8H11ClN2OS
평균 분자량: 218.7 g/mol
단동위원소 질량: 218.02806165

이름 및 식별자

우선 이름: 4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone
IUPAC: 2-tert-butyl-4-chloro-5-sulfanylpyridazin-3-one
영어명: 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE
분자식: C8H11ClN2OS
분자량: 218.7

이름 및 동의어

96490-18-54-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE2-(tert-Butyl)-4-chloro-5-mercaptopyridazin-3(2H)-one2-tert-butyl-4-chloro-5-sulfanylpyridazin-3-oneSCHEMBL3847199DTXSID10541631GLGQMFICPMIOHO-UHFFFAOYSA-N2-tert-butyl-4-chloro-5-sulfanyl-2,3-dihydropyridazin-3-one2-t-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone2-tert-Butyl-4-chloro-5-sulfanylpyridazin-3(2H)-one2-tert.butyl-4-chloro-5-mercapto-3(2H)-pyridazinone2-tert.-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

이름 더 보기

Chlorotoluron Impurity 12-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-mercapto-

데이터베이스 식별자

CAS: 96490-18-5
PubChem CID: 13469242
DTXSID: DTXSID10541631
Nikkaji: J1.470.696H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 33.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 304

화학 및 산업

응용 분야 · 1건

용도4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone is an intermediate used in the synthesis of Pyridaben is a pyridazinone derivative used as an insecticide and acaricide. In the European Union, Pyridaben has been authorized for use as an insecticide and acaricide from 1 May 2011. In Germany, Austria and Switzerland, no plant protection products containing this active substance are authorized. Pyridaben is a colorless solid that is practically insoluble in water. Cannabis testing.