기본 정보
- CAS
318248-43-0- 표준 SMILES
C=CCOCc1c(-c2ccccc2)nn(C)c1Sc1c(Cl)cccc1Cl- InChIKey
QUWCMQFSRJZTTD-UHFFFAOYSA-N- 분자식
- C20H18Cl2N2OS
- 평균 분자량
- 405.3 g/mol
이름 및 식별자
- 우선 이름
- 5-(2,6-Dichlorophenyl)sulfanyl-1-methyl-3-phenyl-4-(prop-2-enoxymethyl)pyrazole
- IUPAC
- 5-(2,6-dichlorophenyl)sulfanyl-1-methyl-3-phenyl-4-(prop-2-enoxymethyl)pyrazole
- 영어명
- 4-[(Allyloxy)methyl]-5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole
- 분자식
- C20H18Cl2N2OS
- 분자량
- 405.34
이름 및 동의어
318248-43-05-(2,6-dichlorophenyl)sulfanyl-1-methyl-3-phenyl-4-(prop-2-enoxymethyl)pyrazoleallyl {5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl ether5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-4-[(prop-2-en-1-yloxy)methyl]-1H-pyrazoleAKOS0050900044K-545S4-((Allyloxy)methyl)-5-((2,6-dichlorophenyl)thio)-1-methyl-3-phenyl-1H-pyrazole4-[(Allyloxy)methyl]-5-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazoleALLYL (5-[(2,6-DICHLOROPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL ETHER1H-Pyrazole, 5-[(2,6-dichlorophenyl)thio]-1-methyl-3-phenyl-4-[(2-propen-1-yloxy)methyl]-
데이터베이스 식별자
- CAS
318248-43-0
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 52.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 440
물리화학적 성질
- 끓는 점
- 484.6 · 484.6±45.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±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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