기본 정보
- CAS
344269-28-9- 표준 SMILES
FC(F)(F)c1ccc(CSc2nnc(CSCc3ccc(Cl)cc3)n2-c2ccccc2)cc1- InChIKey
TVNGVYYXEZZGHY-UHFFFAOYSA-N- 분자식
- C24H19ClF3N3S2
- 평균 분자량
- 506 g/mol
이름 및 식별자
- 우선 이름
- 3-[(4-Chlorophenyl)methylsulfanylmethyl]-4-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
- 영어명
- 3-([(4-Chlorobenzyl)sulfanyl]methyl)-4-phenyl-5-([4-(trifluoromethyl)benzyl]sulfanyl)-4H-1,2,4-triazole
- 분자식
- C24H19ClF3N3S2
- 분자량
- 506.01
이름 및 동의어
344269-28-93-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole3-(((4-Chlorobenzyl)thio)methyl)-4-phenyl-5-((4-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazoleAKOS0050977747H-431S4-chlorobenzyl (4-phenyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl sulfide3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole4-CHLOROBENZYL (4-PHENYL-5-([4-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-Chlorobenzyl)sulfanyl]methyl)-4-phenyl-5-([4-(trifluoromethyl)benzyl]sulfanyl)-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-4-phenyl-5-[[[4-(trifluoromethyl)phenyl]methyl]thio]-
데이터베이스 식별자
- CAS
344269-28-9
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 578
물리화학적 성질
- 끓는 점
- 623.1 · 623.1±65.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.59 · 0.59±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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