기본 정보
- CAS
354991-82-5- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C3CC3)c3cc(C)c(C)cc32)S1- InChIKey
FAZXAXOXCUSWGN-UHFFFAOYSA-N- 분자식
- C24H25NO5S3
- 평균 분자량
- 503.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(cyclopropanecarbonyl)-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(cyclopropanecarbonyl)-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(cyclopropylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C24H25NO5S3
- 분자량
- 503.65
이름 및 동의어
354991-82-5dimethyl 2-[1-(cyclopropanecarbonyl)-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateSTK080197AKOS002229800ST50103674AJ-292/130952274,5-DIMETHYL 2-(1-CYCLOPROPANECARBONYL-2,2,6,7-TETRAMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-(1-(cyclopropanecarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(cyclopropylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(cyclopropylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylatemethyl 2-[1-(cyclopropylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo(4-1,2-dihydroqu inolylidene)]-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(cyclopropylcarbonyl)-2,3-dihydro-2,2,6,7-tetramethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 951
물리화학적 성질
- 끓는 점
- 664.9 · 664.9±65.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.23 · -1.23±0.40(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…