기본 정보
- CAS
306936-19-6- 표준 SMILES
Cc1c(C(=O)O)cc(C(C)(C)C)n1CCSCCO- InChIKey
RENKOCMQKBQFEI-UHFFFAOYSA-N- 분자식
- C14H23NO3S
- 평균 분자량
- 285.4 g/mol
- 단동위원소 질량
- 285.13986477
이름 및 식별자
- 우선 이름
- 5-(1,1-Dimethylethyl)-1-[2-[(2-hydroxyethyl)thio]ethyl]-2-methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methylpyrrole-3-carboxylic acid
- 영어명
- 5-(tert-Butyl)-1,2-[(2-hydroxyethyl)thio]ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
- 분자식
- C14H23NO3S
- 분자량
- 285.4
이름 및 동의어
306936-19-65-(1,1-Dimethylethyl)-1-(2-((2-hydroxyethyl)thio)ethyl)-2-methyl-1H-pyrrole-3-carboxylic acid5-(1,1-Dimethylethyl)-1-[2-[(2-hydroxyethyl)thio]ethyl]-2-methyl-1H-pyrrole-3-carboxylic acidRefChem:2991855-(tert-butyl)-1-{2-[(2-hydroxyethyl)thio]ethyl}-2-methyl-1H-pyrrole-3-carboxylic acid5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methylpyrrole-3-carboxylic acid5-(tert-Butyl)-1-(2-((2-hydroxyethyl)thio)ethyl)-2-methyl-1H-pyrrole-3-carboxylic acid1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-1-[2-[(2-hydroxyethyl)thio]ethyl]-2-methyl-MLS000850966CHEMBL1720955DTXSID20370873HMS2803G23
이름 더 보기
5-TERT-BUTYL-1-[2-(2-HYDROXYETHYLTHIO)ETHYL]-2-METHYLPYRROLE-3-CARBOXYLIC ACID5-(Tert-butyl)-1,2-[(2-hydroxyethyl)thio]ethyl-2-methyl-1H-pyrrole-3-carboxylic5-(tert-Butyl)-1-{2-[(2-hydroxyethyl)thio]ethyl}-2-methyl-1H-pyrrole-3-carboxylic ac5-(tert-Butyl)-1,2-[(2-hydroxyethyl)thio]ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 87.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 304
실험 및 물리화학적 성질
Solubility38.8 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 157 · 157-160
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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