3,4-dimethyl-N-({5-[(4-methylphenyl)sulfanyl]-2-phenyl-1H-imidazol-4-yl}methylene)aniline
기본 정보
- CAS
303986-88-1- 표준 SMILES
Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2C=Nc2ccc(C)c(C)c2)cc1- InChIKey
JYYFHUAVQCGTHB-UHFFFAOYSA-N- 분자식
- C25H23N3S
- 평균 분자량
- 397.5 g/mol
이름 및 식별자
- 우선 이름
- 3,4-dimethyl-N-({5-[(4-methylphenyl)sulfanyl]-2-phenyl-1H-imidazol-4-yl}methylene)aniline
- IUPAC
- N-(3,4-dimethylphenyl)-1-[4-(4-methylphenyl)sulfanyl-2-phenyl-1H-imidazol-5-yl]methanimine
- 영어명
- 3,4-Dimethyl-N-((5-[(4-methylphenyl)sulfanyl]-2-phenyl-1H-imidazol-4-yl)methylene)aniline
- 분자식
- C25H23N3S
- 분자량
- 397.54
이름 및 동의어
303986-88-13,4-dimethyl-N-({5-[(4-methylphenyl)sulfanyl]-2-phenyl-1H-imidazol-4-yl}methylene)aniline(1E)-N-(3,4-dimethylphenyl)-1-{5-[(4-methylphenyl)sulfanyl]-2-phenyl-1H-imidazol-4-yl}methanimineN-(3,4-dimethylphenyl)-1-[4-(4-methylphenyl)sulfanyl-2-phenyl-1H-imidazol-5-yl]methanimineBionet1_002876HMS576L18AKOS00507847211M-347S3,4-Dimethyl-N-((5-[(4-methylphenyl)sulfanyl]-2-phenyl-1H-imidazol-4-yl)methylene)anilineBenzenamine, 3,4-dimethyl-N-[[5-[(4-methylphenyl)thio]-2-phenyl-1H-imidazol-4-yl]methylene]-N-(3,4-DIMETHYLPHENYL)-N-((5-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-1H-IMIDAZOL-4-YL)METHYLENE)AMINE
데이터베이스 식별자
- CAS
303986-88-1
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 66.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 524
물리화학적 성질
- 끓는 점
- 639.5 · 639.5±55.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.08 · 9.08±0.10(Predicted)
관련 반응
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