기본 정보
- CAS
1001560-16-2- 표준 SMILES
CCn1cc(-c2cc(C(F)(F)F)nc(SCC(=O)O)n2)c(C)n1- InChIKey
SXCFUECQJVSHFA-UHFFFAOYSA-N- 분자식
- C13H13F3N4O2S
- 평균 분자량
- 346.33 g/mol
이름 및 식별자
- 우선 이름
- 2-((4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
- IUPAC
- 2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid
- 영어명
- [4-(1-Ethyl-3-methyl-1 H-pyrazol-4-yl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-acetic acid
- 분자식
- C13H13F3N4O2S
- 분자량
- 346.33
이름 및 동의어
1001560-16-22-((4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic Acid2-{[4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid{[4-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]THIO}ACETIC ACID{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acidMFCD03422187([4-(1-Ethyl-3-methyl-1h-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio)acetic acid2-[6-(1-ethyl-3-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrimidin-2-ylthio]acet ic acidC13H13F3N4O2SBQB56016
이름 더 보기
AKOS B013762ART-CHEM-BB B013762Acetic acid, 2-[[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-
SBB020795STK349149AKOS000308446ST065579CS-0240487EN300-228623[4-(1-ETHYL-3-METHYL-1 H-PYRAZOL-4-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YLSULFANYL]-ACETIC ACID2-((4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)aceticacid
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 427
물리화학적 성질
- 끓는 점
- 493.5 · 493.5±45.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.99 · 2.99±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933599590
화학 및 산업
공급사2 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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