2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
기본 정보
- 표준 SMILES
CSc1nc(Oc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1- InChIKey
DHBQHCDOZUWPSZ-UHFFFAOYSA-N- 분자식
- C13H8F6N2OS
- 평균 분자량
- 354.27 g/mol
이름 및 식별자
- 우선 이름
- 2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
- IUPAC
- 2-methylsulfanyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
이름 및 동의어
2-(methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine175836-64-32-methylsulfanyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine2-(Methylthio)-4-(trifluoromethyl)-6-(3-(trifluoromethyl)phenoxy)pyrimidineMLS000326884SCHEMBL8667374CHEMBL1502180HMS2284B16AKOS00507866711N-649SSMR0001794742-methylthio-4-trifluoromethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
데이터베이스 식별자
- PubChem CID
- 1475000
- ChEMBL
CHEMBL1502180
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 60.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 392
관련 반응
1건
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