Tetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
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기본 정보
- CAS
295347-16-9- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(C)c2NC1(C)C- InChIKey
UUSLHDXBBMNGHD-UHFFFAOYSA-N- 분자식
- C25H25NO8S3
- 평균 분자량
- 563.7 g/mol
- 단동위원소 질량
- 563.07423028
이름 및 식별자
- 우선 이름
- Tetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- IUPAC
- tetramethyl 5',5',7'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- 영어명
- Tetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2
- 분자식
- C25H25NO8S3
- 분자량
- 563.66
이름 및 동의어
295347-16-9tetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateMFCD00627120tetramethyl 5',5',7'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateTetramethyl 5,5,7-trimethyl-5,6-dihydrospiro[thiopyrano[2,3-c]quinoline-1,2'-[1,3]dithiole]-2,3,4',5'-tetracarboxylateSMR000116228spiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid, 5',6'-dihydro-5',5',7'-trimethyl-, tetramethyl estertetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateCDS1_002897ChemDiv1_022673MLS000525754MLS001385227
이름 더 보기
Tetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinolineTetramethyl 5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2Spiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid, 5',6'-dihydro-5',5',7'-trimethyl-, tetramethyl ester (9CI)
물성
구조 계산 물성보충 중
- XLogP
- 3.8
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,130
물리화학적 성질
- 끓는 점
- 688.4 · 688.4±55.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.95 · 1.95±0.70(Predicted)
관련 반응
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