기본 정보
- CAS
261959-20-0- 표준 SMILES
COCc1cc(OP(=S)(OC)OC)nc(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
VALQXUCACZQTJR-UHFFFAOYSA-N- 분자식
- C15H16F3N2O4PS
- 평균 분자량
- 408.3 g/mol
- 단동위원소 질량
- 408.05204965
이름 및 식별자
- 우선 이름
- O-[6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl phosphorothioate
- IUPAC
- dimethoxy-[6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane
이름 및 동의어
261959-20-0O-[6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl phosphorothioateO-(6-(Methoxymethyl)-2-(4-(trifluoromethyl)phenyl)-4-pyrimidinyl) O,O-dimethyl phosphorothioateRefChem:366297O-{6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} O,O-dimethyl phosphothioateO-(6-(Methoxymethyl)-2-(4-(trifluoromethyl)phenyl)-4-pyrimidinyl) O,O-dimethyl thiophosphatePhosphorothioic acid, O-[6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl esterVALQXUCACZQTJR-UHFFFAOYSA-NDTXSID001117460dimethoxy-[6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphaneo-(6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl) O,O-dimethyl thiophosphate #O-{6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} O,O-dimethyl phosphorothioate
데이터베이스 식별자
- CAS
261959-20-0- PubChem CID
- 580583
- DTXSID
DTXSID001117460
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 484
관련 반응
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