diethyl 5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
기본 정보
- CAS
332043-53-5- 표준 SMILES
CCOC(=O)C1=CC2(SC=C(C(=O)OCC)S2)C2=C(S1)C(C)(C)Nc1ccccc12- InChIKey
JTMIWUFMGPXKIN-UHFFFAOYSA-N- 분자식
- C22H23NO4S3
- 평균 분자량
- 461.6 g/mol
이름 및 식별자
- 우선 이름
- diethyl 5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- IUPAC
- diethyl 5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
- 영어명
- diethyl 5,5-dimethyl-5,6-dihydro-spiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1,3]-dithiole)-3,4'-dicarboxylate
- 분자식
- C22H23NO4S3
- 분자량
- 461.62
이름 및 동의어
332043-53-5diethyl 5,5-dimethyl-5,6-dihydro-spiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1,3]-dithiole)-3,4'-dicarboxylatediethyl 5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylateCCG-20413STK395134AKOS000619988AKOS022001498EU-0011557AG-690/12249214SR-01000493289SR-01000493289-13',5-DIETHYL 5',5'-DIMETHYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-3',5-DICARBOXYLATE
이름 더 보기
Spiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-3',4-dicarboxylic acid, 5',6'-dihydro-5',5'-dimethyl-, 3',4-diethyl ester
diethyl 5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylatediethyl 5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
데이터베이스 식별자
- CAS
332043-53-5
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 847
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