기본 정보
- CAS
312527-79-0- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(SC)cc1- InChIKey
MPOBBWDVNJRYGR-UHFFFAOYSA-N- 분자식
- C20H23NO3S
- 평균 분자량
- 357.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- ethyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C20H23NO3S
- 분자량
- 357.47
이름 및 동의어
ethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_493133Oprea1_769499AG-690/13507454STK034716AKOS001598301AKOS021989253CCG-106073ethyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateEU-0037623ST50709251
이름 더 보기
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, ethyl ester
SR-01000427721SR-01000427721-1ethyl 2-methyl-4-(4-methylthiophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-ca rboxylate312527-79-0ethyl 2-methyl-4-(4-(methylthio)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
312527-79-0
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 614
물리화학적 성질
- 녹는점
- 204 · 204-205 °C
- 끓는 점
- 526.9 · 526.9±50.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.35 · 1.35±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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