基本情報
- 標準SMILES
COC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1- InChIKey
JPNGAFIAIFDDHB-UHFFFAOYSA-N- 分子式
- C14H16N2O2S
- 平均分子量
- 276.36 g/mol
名称と識別子
- 優先名称
- methyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- IUPAC
- methyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
名称と別名
METHYL 6-METHYL-4-(4-METHYLPHENYL)-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATEmethyl 2-mercapto-4-methyl-6-(4-methylphenyl)-1,6-dihydro-5-pyrimidinecarboxylatemethyl 6-methyl-4-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateOprea1_733285BDBM175355STK728803AKOS000633337AKOS016065988EBC-611801methyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylateUPCMLD0ENAT5677894:001AB00096025-01
名称をさらに表示
AB00096025-02AE-641/09636064SR-01000528045SR-01000528045-1Z47739128methyl 6-methyl-4-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateMethyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (10)134074-41-2
データベース識別子
- PubChem CID
- 2866957
- Nikkaji
- J370.222G
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 82.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 412
関連反応
1 件
化合物ノート
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