ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
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기본 정보
- CAS
258268-23-4- 표준 SMILES
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccccc32)S1- InChIKey
XTKAGYHFTGTPNW-XLNRJJMWSA-N- 분자식
- C23H21NO2S3
- 평균 분자량
- 439.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
- IUPAC
- ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
- 영어명
- ethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
- 분자식
- C23H21NO2S3
- 분자량
- 439.62
이름 및 동의어
258268-23-4(Z)-ethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylateethyl (2Z)-2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylateethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylateethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylateSTK030844AKOS000618992ST50230497AG-690/36897030SR-01000493206SR-01000493206-1ethyl 2-(2,2-dimethyl-3-thioxo(4-1,2-dihydroquinolylidene))-5-phenyl-1,3-dithi olene-4-carboxylate
이름 더 보기
1,3-Dithiole-4-carboxylic acid, 2-(2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-5-phenyl-, ethyl ester, (2Z)-
ETHYL 2-[(4Z)-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-5-PHENYL-2H-1,3-DITHIOLE-4-CARBOXYLATE
데이터베이스 식별자
- CAS
258268-23-4
물성
구조 계산 물성보충 중
- XLogP
- 6
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 749
물리화학적 성질
- 녹는점
- 179 · 179-182 °C
- 끓는 점
- 572.2 · 572.2±60.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.29 · 0.29±0.40(Predicted)
관련 반응
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