3-(((4-Chlorobenzyl)sulfanyl)methyl)-5-((2-chloro-6-fluorobenzyl)sulfanyl)-4-phenyl-4H-1,2,4-triazole
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
344269-58-5- 표준 SMILES
Fc1cccc(Cl)c1CSc1nnc(CSCc2ccc(Cl)cc2)n1-c1ccccc1- InChIKey
KFCPUMFBOIBBFL-UHFFFAOYSA-N- 분자식
- C23H18Cl2FN3S2
- 평균 분자량
- 490.4 g/mol
- 단동위원소 질량
- 489.0303235
이름 및 식별자
- 우선 이름
- 3-(((4-Chlorobenzyl)sulfanyl)methyl)-5-((2-chloro-6-fluorobenzyl)sulfanyl)-4-phenyl-4H-1,2,4-triazole
- IUPAC
- 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole
- 영어명
- 3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE
- 분자식
- C23H18Cl2FN3S2
- 분자량
- 490.44
이름 및 동의어
344269-58-53-(((4-Chlorobenzyl)sulfanyl)methyl)-5-((2-chloro-6-fluorobenzyl)sulfanyl)-4-phenyl-4H-1,2,4-triazole3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazoleAKOS0050978717H-436S3-((2-Chloro-6-fluorobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazole4-CHLOROBENZYL (5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-5-[[[(4-chlorophenyl)methyl]thio]methyl]-4-phenyl-
데이터베이스 식별자
- CAS
344269-58-5- PubChem CID
- 3571601
물성
구조 계산 물성보충 중
- XLogP
- 6.8
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 535
물리화학적 성질
- 끓는 점
- 638.3 · 638.3±65.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.51 · 0.51±0.10(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…