기본 정보
- CAS
500267-64-1- 표준 SMILES
CCn1c(Cc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)n2CC)nnc1SCC(=O)c1ccc(Cl)cc1Cl- InChIKey
JWMBWUZIKYEZFU-UHFFFAOYSA-N- 분자식
- C25H22Cl4N6O2S2
- 평균 분자량
- 644.4 g/mol
- 단동위원소 질량
- 641.999977
이름 및 식별자
- 우선 이름
- 1-(2,4-Dichlorophenyl)-2-[[5-[[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
- IUPAC
- 1-(2,4-dichlorophenyl)-2-[[5-[[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
- 영어명
- 1-(2,4-dichlorophenyl)-2-({5-[(5-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
- 분자식
- C25H22Cl4N6O2S2
- 분자량
- 644.42318
이름 및 동의어
2,2'-{methanediylbis[(4-ethyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(2,4-dichlorophenyl)ethanone]Oprea1_124718Oprea1_506570STK807017AKOS0008076401-(2,4-dichlorophenyl)-2-[[5-[[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoneST50776496AF-399/414184281-(2,4-dichlorophenyl)-2-({5-[(5-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone1-(2,4-dichlorophenyl)-2-[5-({5-[2-(2,4-dichlorophenyl)-2-oxoethylthio]-4-ethy l(1,2,4-triazol-3-yl)}methyl)-4-ethyl(1,2,4-triazol-3-ylthio)]ethan-1-one
데이터베이스 식별자
- CAS
500267-64-1- PubChem CID
- 4103966
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 773
화학 및 산업
공급사1 곳
SPECS[email protected]
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