기본 정보
- CAS
318234-40-1- 표준 SMILES
Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccccc2)c1Cl- InChIKey
RVTTZRUDVCZFQQ-UHFFFAOYSA-N- 분자식
- C18H16Cl2N2S2
- 평균 분자량
- 395.4 g/mol
이름 및 식별자
- 우선 이름
- 5-Chloro-3-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-4-(phenylsulfanylmethyl)pyrazole
- IUPAC
- 5-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-4-(phenylsulfanylmethyl)pyrazole
- 영어명
- (5-Chloro-3-([(4-chlorophenyl)sulfanyl]methyl)-1-methyl-1H-pyrazol-4-yl)methyl phenyl sulfide
- 분자식
- C18H16Cl2N2S2
- 분자량
- 395.37
이름 및 동의어
318234-40-1(5-chloro-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-4-yl)methyl phenyl sulfide5-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-4-(phenylsulfanylmethyl)pyrazole5-chloro-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4-[(phenylsulfanyl)methyl]-1H-pyrazoleAKOS0050885463L-618S5-Chloro-3-(((4-chlorophenyl)thio)methyl)-1-methyl-4-((phenylthio)methyl)-1H-pyrazole1H-Pyrazole, 5-chloro-3-[[(4-chlorophenyl)thio]methyl]-1-methyl-4-[(phenylthio)methyl]-(5-Chloro-3-([(4-chlorophenyl)sulfanyl]methyl)-1-methyl-1H-pyrazol-4-yl)methyl phenyl sulfide5-CHLORO-3-([(4-CHLOROPHENYL)SULFANYL]METHYL)-1-METHYL-4-[(PHENYLSULFANYL)METHYL]-1H-PYRAZOLE
데이터베이스 식별자
- CAS
318234-40-1
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 374
물리화학적 성질
- 끓는 점
- 537.6 · 537.6±50.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.03 · 0.03±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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