기본 정보
- CAS
331760-28-2- 표준 SMILES
Cc1ccc(C2=NN(C(=N)SC3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)C(c3ccc(Cl)cc3)C2)cc1- InChIKey
DJDCIPPRHOOKPB-UHFFFAOYSA-N- 분자식
- C27H21Cl3N4O2S
- 평균 분자량
- 571.9 g/mol
- 단동위원소 질량
- 570.04508
이름 및 식별자
- 우선 이름
- [1-(3,4-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
- IUPAC
- [1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
- 영어명
- 1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate
- 분자식
- C27H21Cl3N4O2S
- 분자량
- 571.91
이름 및 동의어
1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioateSTK674750AKOS001738349AKOS022012562[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioateAG-690/128846491-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidothioate1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate331760-28-21H-Pyrazole-1-carboximidothioic acid, 5-(4-chlorophenyl)-4,5-dihydro-3-(4-methylphenyl)-, 1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
데이터베이스 식별자
- CAS
331760-28-2
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 919
물리화학적 성질
- 끓는 점
- 768.8 · 768.8±70.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.05 · 5.05±0.60(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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