Dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
기본 정보
- CAS
331640-17-6- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(F)(F)F)c3cc(C)c(C)cc32)S1- InChIKey
FFWYYWHKQUUOPQ-UHFFFAOYSA-N- 분자식
- C22H20F3NO5S3
- 평균 분자량
- 531.6 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C22H20F3NO5S3
- 분자량
- 531.59
이름 및 동의어
331640-17-6dimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2,6,7-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateSTK789388AKOS005610830AG-690/120021571,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6,7-tetramethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
331640-17-6
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 974
물리화학적 성질
- 끓는 점
- 604 · 604.0±65.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.62 · -1.62±0.40(Predicted)
관련 반응
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