기본 정보
- CAS
3284-53-5- 표준 SMILES
CCOC(=O)C1C(C)=CCN1S(=O)(=O)c1ccc(C)cc1- InChIKey
IORXTRHOTYUYPS-UHFFFAOYSA-N- 분자식
- C15H19NO4S
- 평균 분자량
- 309.4 g/mol
- 단동위원소 질량
- 309.10347909
이름 및 식별자
- 우선 이름
- Ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate
- IUPAC
- ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate
- 영어명
- 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl ester
- 분자식
- C15H19NO4S
- 분자량
- 309.38
이름 및 동의어
3284-53-53-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid ethyl esterethyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate1H-Pyrrole-2-carboxylicacid, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl esterSCHEMBL1149927DTXSID30577896IORXTRHOTYUYPS-UHFFFAOYSA-N3-Methyl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid ethyl esterEthyl 3-methyl-1-(4-methylbenzene-1-sulfonyl)-2,5-dihydro-1H-pyrrole-2-carboxylateethyl 3-methyl-1-tosyl-2,5-dihydro-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl ester
데이터베이스 식별자
- CAS
3284-53-5- PubChem CID
- 15747141
- DTXSID
DTXSID30577896
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 72.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 512
물리화학적 성질
- 끓는 점
- 428.5 · 428.5±55.0 °C(Predicted)
- 밀도
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -9.1 · -9.10±0.60(Predicted)
화학 및 산업
공급사1 곳
四川伊诺唯新生物医药有限公司13880361484 · [email protected]
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