기본 정보
- CAS
344268-92-4- 표준 SMILES
CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(C(F)(F)F)cc1- InChIKey
HBOKACGQZFCSFT-UHFFFAOYSA-N- 분자식
- C20H19ClF3N3S2
- 평균 분자량
- 458 g/mol
이름 및 식별자
- 우선 이름
- 4-chlorobenzyl (4-ethyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl sulfide
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
- 영어명
- 3-([(4-Chlorobenzyl)sulfanyl]methyl)-4-ethyl-5-([4-(trifluoromethyl)benzyl]sulfanyl)-4H-1,2,4-triazole
- 분자식
- C20H19ClF3N3S2
- 분자량
- 457.96
이름 및 동의어
344268-92-44-chlorobenzyl (4-ethyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl sulfide3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazoleAKOS0050977127H-425S4-CHLOROBENZYL (4-ETHYL-5-([4-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-Chlorobenzyl)sulfanyl]methyl)-4-ethyl-5-([4-(trifluoromethyl)benzyl]sulfanyl)-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-4-ethyl-5-[[[4-(trifluoromethyl)phenyl]methyl]thio]-
데이터베이스 식별자
- CAS
344268-92-4
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 484
물리화학적 성질
- 끓는 점
- 566.2 · 566.2±60.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.17 · 1.17±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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