기본 정보
- CAS
351192-09-1- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CCC3CCCCC3)c3cc(C)ccc32)S1- InChIKey
DQGRGQGDFFVJEW-UHFFFAOYSA-N- 분자식
- C28H33NO5S3
- 평균 분자량
- 559.8 g/mol
- 단동위원소 질량
- 559.15208667
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C28H33NO5S3
- 분자량
- 559.76
이름 및 동의어
dimethyl 2-(1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_002914ChemDiv1_022690DivK1c_003954CHEMBL5000763HMS651H08STK059617ZINC08440694AKOS001621194dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(3-cyclohexyl-1-oxopropyl)-2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
ST50107031AG-690/12892627SR-01000450281SR-01000450281-1dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatemethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-thioxo(4-1,2-dihydroquin olylidene)]-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 997
물리화학적 성질
- 끓는 점
- 690 · 690.0±65.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.74 · -1.74±0.40(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…