기본 정보
- CAS
338410-32-5- 표준 SMILES
CNC(=S)NNC(=O)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1- InChIKey
IMGKCKLJCFVGQH-UHFFFAOYSA-N- 분자식
- C13H14ClF3N6O2S
- 평균 분자량
- 410.8 g/mol
이름 및 식별자
- 우선 이름
- 2-{[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]carbonyl}-N-methyl-1-hydrazinecarbothioamide
- IUPAC
- 1-[[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea
- 영어명
- 2-([5-(([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]carbonyl)-N-methyl-1-hydrazinecarbothioamide
- 분자식
- C13H14ClF3N6O2S
- 분자량
- 410.8
이름 및 동의어
338410-32-52-{[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]carbonyl}-N-methyl-1-hydrazinecarbothioamide5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-[(methylcarbamothioyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide1-[[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-methylthioureaAKOS0050880693H-9652-([5-(([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]carbonyl)-N-methyl-1-hydrazinecarbothioamide3-Isoxazolecarboxylic acid, 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-, 2-[(methylamino)thioxomethyl]hydrazide
데이터베이스 식별자
- CAS
338410-32-5
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 564
물리화학적 성질
- 밀도
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.19 · 8.19±0.40(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…