기본 정보
- CAS
3344-11-4- 표준 SMILES
CNC(=O)CSP(=O)(OC)SC- InChIKey
IRZFDJFTOCCEPS-UHFFFAOYSA-N- 분자식
- C5H12NO3PS2
- 평균 분자량
- 229.3 g/mol
- 단동위원소 질량
- 228.99962259
이름 및 식별자
- 우선 이름
- Phosphorodithioic acid, O,S-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
- IUPAC
- 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide
- 현지명
- 2-(메톡시-메틸술파닐-포스포릴)술파닐-N-메틸-아세트아미드
- 영어명
- 2-(methoxy-methylsulfanyl-phosphoryl)sulfanyl-N-methyl-acetamide
- 분자식
- C5H12NO3PS2
- 분자량
- 229.26
이름 및 동의어
Isodimethoate3344-11-4BRN 1911183Phosphorodithioic acid, O,S-dimethyl ester, S-ester with 2-mercapto-N-methylacetamidePhosphorodithioic acid, O,S-dimethyl S-(2-(methylamino)-2-oxoethyl) esterRefChem:371183Phosphorodithioic acid, O,S-dimethyl S-(2-(methylamino)-2-oxoethyl) ester (9CI)Isodimethoate (Technical Grade)2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamideO,S-dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorodithioateo,s-dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioateorb3136115
이름 더 보기
2-(메톡시-메틸술파닐-포스포릴)술파닐-N-메틸-아세트아미드Dimethoate Impurity 1Isodimethoate Impurity 1Phosphorodithioic acid O,S-dimethyl S-[(methylcarbamoyl)methyl] esterPhosphorodithioic acid, O,S-dimethyl S-[2-(methylamino)-2-oxoethyl] ester
SCHEMBL3114305DTXSID00955066T211730{[Methoxy(methylsulfanyl)phosphoryl]sulfanyl}-N-methylethanimidic acid2-(METHOXY-METHYLSULFANYL-PHOSPHORYL)SULFANYL-N-METHYL-ACETAMIDE2-{[Methoxy(methylsulfanyl)phosphoryl]sulfanyl}-N-methylethanimidic acid
데이터베이스 식별자
- CAS
3344-11-4- PubChem CID
- 76866
- DTXSID
DTXSID00955066- Nikkaji
- J53.812D
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 199
물리화학적 성질
- 밀도
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.42 · 14.42±0.46(Predicted)
화학 및 산업
응용 분야
용도Isodimethoate is an isomer of Dimethoate (D460505), which is an organophosphate insecticide. Isodimethoate is present in usual pesticide formulations of Dimethoate that is anticholinesterase which disables cholinesterase, an enzyme essential for central nervous system function and thus is neurotoxic for humans. Isodimethoate reacts with human red blood cell acetylcholinesterase (AChE) rendering part of AChE making it non-reactivatable.
공급사8 곳
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