기본 정보
- CAS
29571-44-6- 표준 SMILES
CCOC(=O)Cc1cnc(SC)[nH]c1=O- InChIKey
GKBOFJXGVIZNBD-UHFFFAOYSA-N- 분자식
- C9H12N2O3S
- 평균 분자량
- 228.27 g/mol
- 단동위원소 질량
- 228.05686342
이름 및 식별자
- 우선 이름
- Ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate
- IUPAC
- ethyl 2-(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetate
- 현지명
- 5-피리미딘아세트산,3,4-디하이드로-2-(메틸티오)-4-옥소-,에틸에스테르
- 영어명
- 5-Pyrimidineacetic acid, 3,4-dihydro-2-(methylthio)-4-oxo-, ethyl ester
- 분자식
- C9H12N2O3S
- 분자량
- 228.27
이름 및 동의어
29571-44-6ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetateethyl 2-(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetateETHYL 2-(4-HYDROXY-2-(METHYLTHIO)PYRIMIDIN-5-YL)ACETATEMFCD119774595-PYRIMIDINEACETIC ACID, 3,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-, ETHYL ESTERMFCD12545977ethyl [2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidin-5-yl]acetateethyl 2-[4-hydroxy-2-(methylthio)pyrimidin-5-yl]acetateNSC165311SCHEMBL9298613SCHEMBL16580714
이름 더 보기
5-피리미딘아세트산,3,4-디하이드로-2-(메틸티오)-4-옥소-,에틸에스테르4-Hydroxy-2-(methylthio)-5-pyrimidineacetic acid ethyl esterEthyl 2-[2-(Methylthio)-6-oxo-1,6-dihydro-5-pyrimidinyl]acetate3,4-dihydro-2-(methylthio)-4-oxo-5-pyrimdineaceticacidethylesterEthyl 2-(4-Hydroxy-2-(Methylthio)Pyrimidin-5-Yl)Acetate(WX618475)3,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINEACETIC ACID ETHYL ESTER
SCHEMBL30400798DTXSID00304292GKBOFJXGVIZNBD-UHFFFAOYSA-NEthyl2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetateAKOS015838729AKOS037644793NSC 165311NSC-165311
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 336
물리화학적 성질
- 녹는점
- 188 · 188-189℃
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 7.4 · 7.40±0.50(Predicted)
화학 및 산업
공급사17 곳
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