기본 정보
- CAS
331640-26-7- 표준 SMILES
CCCCC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OCC)=C(C(=O)OCC)S2)C(=S)C1(C)C- InChIKey
BBMKLCYDKSXLCK-UHFFFAOYSA-N- 분자식
- C26H31NO6S3
- 평균 분자량
- 549.7 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H31NO6S3
- 분자량
- 549.72
이름 및 동의어
331640-26-7diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylatediethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateChemDiv1_027616HMS665H06STK010687AKOS001757307AG-690/11999027SR-01000525156SR-01000525156-14,5-DIETHYL 2-(6-METHOXY-2,2-DIMETHYL-1-PENTANOYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-6-methoxy-2,2-dimethyl-1-(1-oxopentyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-diethyl ester
데이터베이스 식별자
- CAS
331640-26-7
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 941
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…