基本情報
- 標準SMILES
CSC(=NC#N)N(C)N=Cc1ccccc1- InChIKey
STFQKTFSSBLPHJ-UHFFFAOYSA-N- 分子式
- C11H12N4S
- 平均分子量
- 232.31 g/mol
名称と識別子
- 優先名称
- methyl N-cyano-1-methyl-2-(phenylmethylene)-hydrazinecarboximidothioate
- IUPAC
- methyl N-(benzylideneamino)-N'-cyano-N-methylcarbamimidothioate
名称と別名
SCHEMBL10564085STFQKTFSSBLPHJ-UHFFFAOYSA-Nmethyl N-cyano-1-methyl-2-(phenylmethylene)-hydrazinecarboximidothioateN-cyano-1-methyl-2 -(phenylmethylene)hydrazine carboximidothioic acid, methyl esterN-cyano-1-methyl-2-(phenylmethylene) hydrazine carboximidothioic acid, methyl esterN-cyano-1-methyl-2-(phenylmethylene) hydrazinecarboximidothioic acid methyl esterN-cyano-1-methyl-2-(phenylmethylene)-hydrazine-carboximidothioic acid methyl esterN-cyano-1-methyl-2-(phenylmethylene)hydrazine carboximidothioic acid methyl esterN-cyano-1-methyl-2-(phenylmethylene)hydrazine carboximidothioic acid, methyl esterN-cyano-1-methyl-2-(phenylmethylene)hydrazine-carboximidothioic acid methyl esterN-cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioic acid methyl esterN-Cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioic acid, methyl ester
データベース識別子
- PubChem CID
- 54323404
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 77.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 309
関連反応
19 件
化合物ノート
読み込み中…