기본 정보
- CAS
303995-36-0- 표준 SMILES
C=CCSc1nnc(CC(OC)OC)n1-c1cccc(C(F)(F)F)c1- InChIKey
CSFKOIXWUMWJEV-UHFFFAOYSA-N- 분자식
- C16H18F3N3O2S
- 평균 분자량
- 373.4 g/mol
- 단동위원소 질량
- 373.10718249
이름 및 식별자
- 우선 이름
- 3-(allylsulfanyl)-5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
- IUPAC
- 3-(2,2-dimethoxyethyl)-5-prop-2-enylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
- 영어명
- 2-(5-(ALLYLSULFANYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)-1-METHOXYETHYL METHYL ETHER
- 분자식
- C16H18F3N3O2S
- 분자량
- 373.39
이름 및 동의어
303995-36-03-(allylsulfanyl)-5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole3-(2,2-dimethoxyethyl)-5-prop-2-enylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole3-(2,2-dimethoxyethyl)-5-(prop-2-en-1-ylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazoleAKOS00507959212B-0473-(Allylthio)-5-(2,2-dimethoxyethyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-(2,2-dimethoxyethyl)-5-(2-propen-1-ylthio)-4-[3-(trifluoromethyl)phenyl]-2-{5-(allylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-1-methoxyethyl methyl ether2-(5-(ALLYLSULFANYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)-1-METHOXYETHYL METHYL ETHER
데이터베이스 식별자
- CAS
303995-36-0- PubChem CID
- 2768536
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 74.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 424
물리화학적 성질
- 끓는 점
- 461.9 · 461.9±55.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.11 · 1.11±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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