基本情報
- CAS
438228-03-6- 標準SMILES
CCNC(=S)NNC(=O)c1csc2c1CCC(C)C2- InChIKey
OBBAZFAVESKXEV-UHFFFAOYSA-N- 分子式
- C13H19N3OS2
- 平均分子量
- 297.4 g/mol
- 単同位体質量
- 297.09695459
名称と識別子
- 優先名称
- N-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]hydrazinecarbothioamide
- IUPAC
- 1-ethyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
名称と別名
438228-03-6N-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]hydrazinecarbothioamide4,5,6,7-Tetrahydro-6-methylbenzo[b]thiophene-3-carboxylic acid 2-[(ethylamino)thioxomethyl]hydrazideN-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinecarbothioamideMLS000544591CHEMBL1519512DTXSID801113779HMS2325M23STK449172AKOS003295937AKOS0221509301-ethyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
名称をさらに表示
SMR000159996ST50831556AK-968/41171437N-{[(ethylamino)thioxomethyl]amino}(6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophe n-3-yl))carboxamideN-Ethyl-2-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)hydrazine-1-carbothioamide
データベース識別子
- CAS
438228-03-6- PubChem CID
- 4415534
- DTXSID
DTXSID801113779- ChEMBL
CHEMBL1519512
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 351
関連反応
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