1-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide

HCID 8017342CAS 1004249-31-3

基本情報

標準SMILES: Cn1nccc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIKey: SIRUZDGQTXTKKS-UHFFFAOYSA-N
分子式: C12H12N6O3S
平均分子量: 320.33 g/mol
単同位体質量: 320.06915924

名称と識別子

優先名称: 1-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide
IUPAC: 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea

名称と別名

1004249-31-31-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide1-Methyl-1H-pyrazole-5-carboxylic acid 2-(((4-nitrophenyl)amino)thioxomethyl)hydrazideRefChem:2315332-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thioureaDTXSID601126504STL403544AKOS024282685ST057620(1-methylpyrazol-5-yl)-N-({[(4-nitrophenyl)amino]thioxomethyl}amino)carboxamid e2-(1-Methyl-1H-pyrazole-5-carbonyl)-N-(4-nitrophenyl)hydrazine-1-carbothioamide

名称をさらに表示

2-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-N~1~-(4-NITROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE

データベース識別子

CAS: 1004249-31-3
PubChem CID: 8017342
DTXSID: DTXSID601126504

物性

構造計算による物性

XLogP: 1.2
極性表面積: 149 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 22
形式電荷: 0
複雑度: 435