기본 정보
- CAS
351192-80-8- 표준 SMILES
CCOc1cccc2c1N(C(=O)c1ccc(Cl)cc1Cl)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1- InChIKey
AZAVACQVPJYWOV-UHFFFAOYSA-N- 분자식
- C27H23Cl2NO6S3
- 평균 분자량
- 624.6 g/mol
- 단동위원소 질량
- 623.0064564
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C27H23Cl2NO6S3
- 분자량
- 624.58
이름 및 동의어
ZINC8440701CDS1_003092ChemDiv1_022868DivK1c_004132HMS651P10MFCD01560891STK054802ZINC08440701AKOS000619949dimethyl 2-[1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateZINC000008440701ST50107063
이름 더 보기
dimethyl 2-{1-[(2,4-dichlorophenyl)carbonyl]-8-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(2,4-dichlorobenzoyl)-8-ethoxy-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
AG-690/12892667SR-01000450298SR-01000450298-1CCOc1cccc2c1N(C(=O)c1ccc(cc1Cl)Cl)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)CCCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=C(C=C(C=C4)Cl)Cldimethyl 2-(1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(2,4-dichlorobenzoyl)-8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 708.6 · 708.6±70.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.71 · -2.71±0.40(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…