기본 정보
- CAS
331416-84-3- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3c(C)cccc32)S1- InChIKey
JPIVBQDBSQTYBG-UHFFFAOYSA-N- 분자식
- C26H22N2O7S3
- 평균 분자량
- 570.7 g/mol
- 단동위원소 질량
- 570.05891457
이름 및 식별자
- 우선 이름
- Dimethyl 2-[2,2,8-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2,8-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-{4-nitrobenzoyl}-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H22N2O7S3
- 분자량
- 570.65708
이름 및 동의어
dimethyl 2-(1-{4-nitrobenzoyl}-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateSTL436004AKOS000616320dimethyl 2-[2,2,8-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50226511AG-690/36596039dimethyl 2-[2,2,8-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2,8-trimethyl-1-(4-nitrobenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{2,2,8-trimethyl-1-[(4-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 5-(methoxycarbonyl)-2-{2,2,8-trimethyl-1-[(4-nitrophenyl)carbonyl]-3-th ioxo(4-1,2-dihydroquinolylidene)}-1,3-dithiolene-4-carboxylate
데이터베이스 식별자
- CAS
331416-84-3- PubChem CID
- 2843958
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 201 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,090
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…