기본 정보
- 표준 SMILES
CSc1cccc(C)c1C1=NOCC1- InChIKey
ZTJWBDREQSNUKG-UHFFFAOYSA-N- 분자식
- C11H13NOS
- 평균 분자량
- 207.29 g/mol
이름 및 식별자
- 우선 이름
- 3-(2-Methyl-6-methylthiophenyl)-4,5-dihydroisoxazole
- IUPAC
- 3-(2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
이름 및 동의어
250592-91-73-(2-methyl-6-methylthiophenyl)-4,5-dihydroisoxazole3-(2-Methyl-6-(methylthio)phenyl)-4,5-dihydroisoxazoleSCHEMBL702182SCHEMBL30480757ZTJWBDREQSNUKG-UHFFFAOYSA-N3-((2-Methyl)-6-methylthiophenyl)-4,5-dihydroisoxazole3-(2-methyl-6-methylthiophenyl) -4,5-dihydroisoxazole3-(2-methyl-6-methylthiophenyl)-4,5-dihydro-isoxazole3-(2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
데이터베이스 식별자
- PubChem CID
- 10878342
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 46.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 229
관련 반응
32건
연결된 노트
불러오는 중…