기본 정보
- CAS
332019-13-3- 표준 SMILES
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3c(C)cccc32)S1- InChIKey
FYWILTFCMYCZJW-UHFFFAOYSA-N- 분자식
- C25H29NO5S3
- 평균 분자량
- 519.7 g/mol
- 단동위원소 질량
- 519.12078655
이름 및 식별자
- 우선 이름
- diethyl 2-(1-isobutyryl-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-[2,2,8-trimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(1-isobutyryl-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C25H29NO5S3
- 분자량
- 519.7
이름 및 동의어
diethyl 2-(1-isobutyryl-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCDS1_002904ChemDiv1_022680DivK1c_003944HMS651G20STK871064AKOS000620068diethyl 2-[2,2,8-trimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAK-968/12117060SR-01000449962SR-01000449962-1diethyl 2-(1-isobutyryl-2,2,8-trimethyl-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-[2,3-dihydro-2,2,8-trimethyl-1-(2-methyl-1-oxopropyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-diethyl ester
diethyl 2-[2,2,8-trimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatediethyl 2-[2,2,8-trimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
데이터베이스 식별자
- CAS
332019-13-3- PubChem CID
- 2864689
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 920
물리화학적 성질
- 끓는 점
- 645.8 · 645.8±65.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.21 · -1.21±0.40(Predicted)
화학 및 산업
공급사3 곳
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