기본 정보
- CAS
344272-52-2- 표준 SMILES
CCn1c(CS(=O)Cc2ccc(Cl)cc2Cl)nnc1SCc1ccc(Br)cc1- InChIKey
IYZVCICKSYQZFO-UHFFFAOYSA-N- 분자식
- C19H18BrCl2N3OS2
- 평균 분자량
- 519.3 g/mol
- 단동위원소 질량
- 516.94517
이름 및 식별자
- 우선 이름
- 3-[(4-bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
- IUPAC
- 3-[(4-bromophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole
- 영어명
- (5-[(4-BROMOBENZYL)SULFANYL]-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 2,4-DICHLOROBENZYL SULFOXIDE
- 분자식
- C19H18BrCl2N3OS2
- 분자량
- 519.31
이름 및 동의어
344272-52-23-{[(4-bromophenyl)methyl]sulfanyl}-5-{[(2,4-dichlorophenyl)methanesulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole3-[(4-bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole3-[(4-bromophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazoleAKOS0050976577H-493S(5-[(4-BROMOBENZYL)SULFANYL]-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 2,4-DICHLOROBENZYL SULFOXIDE3-[(4-BROMOBENZYL)SULFANYL]-5-([(2,4-DICHLOROBENZYL)SULFINYL]METHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[(4-bromophenyl)methyl]thio]-5-[[[(2,4-dichlorophenyl)methyl]sulfinyl]methyl]-4-ethyl-
데이터베이스 식별자
- CAS
344272-52-2- PubChem CID
- 1483496
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 514
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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