기본 정보
- CAS
344273-49-0- 표준 SMILES
Clc1ccc(CSCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1- InChIKey
YUKYNHNATIQILM-UHFFFAOYSA-N- 분자식
- C23H18Cl3N3S2
- 평균 분자량
- 506.9 g/mol
- 단동위원소 질량
- 505.000773
이름 및 식별자
- 우선 이름
- 4-chlorobenzyl {5-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl sulfide
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
- 영어명
- 3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-5-[(3,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE
- 분자식
- C23H18Cl3N3S2
- 분자량
- 506.9
이름 및 동의어
344273-49-04-chlorobenzyl {5-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl sulfide3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazoleAKOS0050978747H-509S3-(((4-Chlorobenzyl)thio)methyl)-5-((3,4-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole4-CHLOROBENZYL (5-[(3,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-5-[(3,4-DICHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-5-[[(3,4-dichlorophenyl)methyl]thio]-4-phenyl-
데이터베이스 식별자
- CAS
344273-49-0- PubChem CID
- 3811272
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 532
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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