dimethyl 2-(1-{3-nitrobenzoyl}-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
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기본 정보
- CAS
307339-97-5- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)S1- InChIKey
DWHBEDUCZGWJMV-UHFFFAOYSA-N- 분자식
- C25H20N2O7S3
- 평균 분자량
- 556.6 g/mol
- 단동위원소 질량
- 556.0432645
이름 및 식별자
- 우선 이름
- dimethyl 2-(1-{3-nitrobenzoyl}-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-{3-nitrobenzoyl}-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C25H20N2O7S3
- 분자량
- 556.63
이름 및 동의어
dimethyl 2-(1-{3-nitrobenzoyl}-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate307339-97-5STL070939AKOS000616176dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateUPCMLD0ENAT0501-8180:001AG-690/36007024Z56770754dimethyl 2-(2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
307339-97-5- PubChem CID
- 3099075
물성
구조 계산 물성보충 중
- XLogP
- 4.9
- 극성 표면적
- 201 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 끓는 점
- 671.4 · 671.4±65.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.3 · -3.30±0.40(Predicted)
관련 반응
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