기본 정보
- CAS
318959-34-1- 표준 SMILES
Cn1nc(-c2ccccc2)c(CSc2ccc(Cl)cc2)c1Sc1ccc(Br)cc1- InChIKey
OYIPMUWZLQFVPU-UHFFFAOYSA-N- 분자식
- C23H18BrClN2S2
- 평균 분자량
- 501.9 g/mol
이름 및 식별자
- 우선 이름
- 4-bromophenyl 4-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide
- IUPAC
- 5-(4-bromophenyl)sulfanyl-4-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-phenylpyrazole
- 영어명
- 4-Bromophenyl 4-([(4-chlorophenyl)sulfanyl]methyl)-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide
- 분자식
- C23H18BrClN2S2
- 분자량
- 501.89
이름 및 동의어
318959-34-14-bromophenyl 4-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide5-(4-bromophenyl)sulfanyl-4-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-phenylpyrazole5-[(4-bromophenyl)sulfanyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazoleAKOS0050958206K-357S5-((4-Bromophenyl)thio)-4-(((4-chlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole1H-Pyrazole, 5-[(4-bromophenyl)thio]-4-[[(4-chlorophenyl)thio]methyl]-1-methyl-3-phenyl-4-Bromophenyl 4-([(4-chlorophenyl)sulfanyl]methyl)-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide5-[(4-BROMOPHENYL)SULFANYL]-4-([(4-CHLOROPHENYL)SULFANYL]METHYL)-1-METHYL-3-PHENYL-1H-PYRAZOLE
데이터베이스 식별자
- CAS
318959-34-1
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 491
물리화학적 성질
- 끓는 점
- 632.1 · 632.1±55.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.34 · 0.34±0.10(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…