기본 정보
- CAS
332861-22-0- 표준 SMILES
CCOC(=O)C1=CC2(SC=C(C(=O)OCC)S2)C2=C(S1)C(C)(C)N(C(C)=O)c1ccccc12- InChIKey
VKETXHFQDAZPEY-UHFFFAOYSA-N- 분자식
- C24H25NO5S3
- 평균 분자량
- 503.7 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 6'-acetyl-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- IUPAC
- diethyl 6'-acetyl-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- 영어명
- diethyl 6'-acetyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- 분자식
- C24H25NO5S3
- 분자량
- 503.65
이름 및 동의어
diethyl 6'-acetyl-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylatediethyl 6'-acetyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylateSTK508702AKOS000621934AKOS024307859ST50338870AJ-292/14408165332861-22-0diethyl 6'-acetyl-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylatediethyl 6'-acetyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylateethyl 11-acetyl-8-(ethoxycarbonyl)-10,10-dimethylspiro[1,3-dithiolene-2,1'-5,6 -dihydrothiino[2,3-c]quinoline]-4-carboxylateSpiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-3',4-dicarboxylic acid, 6'-acetyl-5',6'-dihydro-5',5'-dimethyl-, 3',4-diethyl ester
데이터베이스 식별자
- CAS
332861-22-0
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 969
물리화학적 성질
- 끓는 점
- 707.4 · 707.4±60.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -4.77 · -4.77±0.70(Predicted)
화학 및 산업
공급사3 곳
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