기본 정보
- CAS
1164470-24-9- 표준 SMILES
CSc1nnc(C)c(/C=C/Nc2ccc(C)cc2)n1- InChIKey
BSKBIDKLFKEAEN-CMDGGOBGSA-N- 분자식
- C14H16N4S
- 평균 분자량
- 272.37 g/mol
개요
4-methyl-N-[2-[6-methyl-3-(methylthio)-1,2,4-triazin-5-yl]ethenyl]aniline is an aryl sulfide.
이름 및 식별자
- 우선 이름
- N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}-N-(4-methylphenyl)amine
- IUPAC
- 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
- 영어명
- 4-Methyl-N-(2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl)aniline
- 분자식
- C14H16N4S
- 분자량
- 272.37
이름 및 동의어
1164470-24-9N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}-N-(4-methylphenyl)amine4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline4-methyl-N-[(E)-2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]ethenyl]anilineCHEMBL1346762CHEBI:114837HMS2281K24AKOS00508030012K-390S4-Methyl-N-(2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl)anilineN-(2-[6-METHYL-3-(METHYLSULFANYL)-1,2,4-TRIAZIN-5-YL]VINYL)-N-(4-METHYLPHENYL)AMINEBenzenamine, 4-methyl-N-[(1E)-2-[6-methyl-3-(methylthio)-1,2,4-triazin-5-yl]ethenyl]-
데이터베이스 식별자
- CAS
1164470-24-9- ChEMBL
CHEMBL1346762- ChEBI
CHEBI:114837
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 289
물리화학적 성질
- 끓는 점
- 483.609 · 483.609±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.213 · 1.213±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 1.98 · 1.980±0.21(predicted)
화학 및 산업
공급사5 곳
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
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