기본 정보
- CAS
344271-21-2- 표준 SMILES
Fc1cccc(Cl)c1CSc1nnc(CSCc2c(Cl)cccc2Cl)n1-c1ccccc1- InChIKey
SNZOEMRVKZJJBT-UHFFFAOYSA-N- 분자식
- C23H17Cl3FN3S2
- 평균 분자량
- 524.9 g/mol
이름 및 식별자
- 우선 이름
- 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole
- IUPAC
- 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole
- 영어명
- 2-Chloro-6-fluorobenzyl 5-([(2,6-dichlorobenzyl)sulfanyl]methyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
- 분자식
- C23H17Cl3FN3S2
- 분자량
- 524.89
이름 및 동의어
344271-21-23-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazoleAKOS0050978077H-470S2-Chloro-6-fluorobenzyl 5-([(2,6-dichlorobenzyl)sulfanyl]methyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide3-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-5-([(2,6-DICHLOROBENZYL)SULFANYL]METHYL)-4-PHENYL-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-5-[[[(2,6-dichlorophenyl)methyl]thio]methyl]-4-phenyl-
데이터베이스 식별자
- CAS
344271-21-2
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 565
물리화학적 성질
- 끓는 점
- 657.1 · 657.1±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.46 · 0.46±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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