Dimethyl 5-(4-tert-butylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
기본 정보
- CAS
337920-88-4- 표준 SMILES
COC(=O)c1c(C(=O)OC)c(-c2ccc(C(C)(C)C)cc2)n2c1CS(=O)(=O)C2- InChIKey
WBDGBRPWFBVEPU-UHFFFAOYSA-N- 분자식
- C20H23NO6S
- 평균 분자량
- 405.5 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 5-(4-tert-butylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
- IUPAC
- dimethyl 5-(4-tert-butylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
- 영어명
- Dimethyl 5-[4-(tert-butyl)phenyl]-2,2-dioxo-2,3-dihydro-1H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
- 분자식
- C20H23NO6S
- 분자량
- 405.46
이름 및 동의어
337920-88-4dimethyl 5-[4-(tert-butyl)phenyl]-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylatedimethyl 5-(4-tert-butylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylateDimethyl 5-(4-(tert-butyl)phenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2,2-dioxideOprea1_427339AKOS00507500110J-510S6,7-dimethyl 5-(4-tert-butylphenyl)-2,2-dioxo-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate6,7-dimethyl5-(4-tert-butylphenyl)-2,2-dioxo-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylateDimethyl 5-[4-(tert-butyl)phenyl]-2,2-dioxo-2,3-dihydro-1H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate1H,3H-Pyrrolo[1,2-c]thiazole-6,7-dicarboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-, 6,7-dimethyl ester, 2,2-dioxide
데이터베이스 식별자
- CAS
337920-88-4
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 끓는 점
- 616.9 · 616.9±55.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -13.39 · -13.39±0.20(Predicted)
관련 반응
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