기본 정보
- CAS
331973-24-1- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)S1- InChIKey
YXYYMARNNAISRK-UHFFFAOYSA-N- 분자식
- C26H22FNO6S3
- 평균 분자량
- 559.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H22FNO6S3
- 분자량
- 559.65
이름 및 동의어
dimethyl 2-(1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylateSTK085453AKOS000618420dimethyl 2-[1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateEU-0044956ST50103162AG-690/11837041SR-01000493269SR-01000493269-14,5-DIMETHYL 2-[1-(4-FLUOROBENZOYL)-6-METHOXY-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-(1-(4-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(4-fluorobenzoyl)-2,3-dihydro-6-methoxy-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-{1-[(4-fluorophenyl)carbonyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(4-fluorophenyl)carbonyl]-6-methoxy-2,2-dimethyl-3-thioxo(4-1,2-d ihydroquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 끓는 점
- 666.9 · 666.9±65.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.22 · -2.22±0.40(Predicted)
화학 및 산업
공급사3 곳
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