기본 정보
- CAS
318951-85-8- 표준 SMILES
Cn1nc(-c2ccccc2)c(CSc2c(Cl)cccc2Cl)c1Sc1ccc(Cl)cc1- InChIKey
GFKGRWZQZBCLHO-UHFFFAOYSA-N- 분자식
- C23H17Cl3N2S2
- 평균 분자량
- 491.9 g/mol
이름 및 식별자
- 우선 이름
- 5-[(4-chlorophenyl)sulfanyl]-4-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazole
- IUPAC
- 5-(4-chlorophenyl)sulfanyl-4-[(2,6-dichlorophenyl)sulfanylmethyl]-1-methyl-3-phenylpyrazole
- 영어명
- 4-Chlorophenyl 4-([(2,6-dichlorophenyl)sulfanyl]methyl)-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide
- 분자식
- C23H17Cl3N2S2
- 분자량
- 491.88
이름 및 동의어
318951-85-85-[(4-chlorophenyl)sulfanyl]-4-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazole5-(4-chlorophenyl)sulfanyl-4-[(2,6-dichlorophenyl)sulfanylmethyl]-1-methyl-3-phenylpyrazoleAKOS0050983137K-301S4-chlorophenyl 4-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide5-((4-Chlorophenyl)thio)-4-(((2,6-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole1H-Pyrazole, 5-[(4-chlorophenyl)thio]-4-[[(2,6-dichlorophenyl)thio]methyl]-1-methyl-3-phenyl-4-Chlorophenyl 4-([(2,6-dichlorophenyl)sulfanyl]methyl)-1-methyl-3-phenyl-1H-pyrazol-5-yl sulfide5-[(4-CHLOROPHENYL)SULFANYL]-4-([(2,6-DICHLOROPHENYL)SULFANYL]METHYL)-1-METHYL-3-PHENYL-1H-PYRAZOLE
데이터베이스 식별자
- CAS
318951-85-8
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 519
물리화학적 성질
- 끓는 점
- 621.9 · 621.9±55.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.31 · 0.31±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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