기본 정보
- CAS
505054-59-1- 표준 SMILES
COC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)n1- InChIKey
MHTYAVSXZWTVEI-UHFFFAOYSA-N- 분자식
- C12H15F3N2O2S
- 평균 분자량
- 308.32 g/mol
- 단동위원소 질량
- 308.08063339
이름 및 식별자
- 우선 이름
- Methyl {[4-tert-butyl-6-(trifluoromethyl)-pyrimidin-2-yl]thio}acetate
- IUPAC
- methyl 2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate
- 영어명
- methyl {[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio}acetate
- 분자식
- C12H15F3N2O2S
- 분자량
- 308.32
이름 및 동의어
505054-59-1Methyl {[4-tert-butyl-6-(trifluoromethyl)-pyrimidin-2-yl]thio}acetateMethyl 2-((4-(tert-butyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetateMethyl ([4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio)acetateMFCD02736942methyl {[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio}acetatemethyl 2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetatemethyl 2-{[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetateMETHYL [[4-TERT-BUTYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]THIO]ACETATEmethyl {[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetateacetic acid, [[4-(1,1-dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-, methyl esterBAS 03153349
이름 더 보기
ZINC00268083acetic acid, [[4-(1,1-dimethylethyl)-6-(trifluoromethyl)-2Methyl 2-[[4-(tert-Butyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetatemethyl 2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate2-[[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid methyl ester2-[[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid methyl ester
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 77.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 345
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사1 곳
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