基本情報
- 標準SMILES
COC(=O)C1(CSC(C)=O)CCOCC1- InChIKey
SBKWLRQWJCVHOH-UHFFFAOYSA-N- 分子式
- C10H16O4S
- 平均分子量
- 232.3 g/mol
名称と識別子
- 優先名称
- Methyl 4-[(acetylsulfanyl)methyl]oxane-4-carboxylate
- IUPAC
- methyl 4-(acetylsulfanylmethyl)oxane-4-carboxylate
名称と別名
235753-82-9methyl 4-[(acetylsulfanyl)methyl]oxane-4-carboxylateMFCD28023535METHYL 4-((ACETYLTHIO)METHYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLATEMethyl 4-[(acetylsulfanyl)methyl]-oxane-4-carboxylatemethyl 4-(acetylsulfanylmethyl)oxane-4-carboxylatemethyl4-[(acetylsulfanyl)methyl]oxane-4-carboxylateSCHEMBL6730542SBKWLRQWJCVHOH-UHFFFAOYSA-NAKOS025393309CK-0031H40884
名称をさらに表示
methyl 4-(acetylsulfanylmethyl)tetrahydropyran-4-carboxylateMethyl 4-Acetylsulfanylmethyl-tetrahydropyran-4-carboxylate4-Acetylsulfanylmethyltetrahydropyran-4-carboxylic acid methyl ester2H-Pyran-4-carboxylic acid, 4-[(acetylthio)methyl]tetrahydro-, methylester4-Acetylsulfanylmethyl-tetrahydro-pyran-4-carboxylic acid methyl ester2H-Pyran-4-carboxylic acid, 4-[(acetylthio)methyl]tetrahydro-, methyl ester
データベース識別子
- PubChem CID
- 23448262
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 77.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 246
関連反応
12 件
化合物ノート
読み込み中…