[(3-甲氧基苯基)亚甲基氨基]硫脲 | 51146-74-8
[(3-甲氧基苯基)亚甲基氨基]硫脲
Hydrazinecarbothioamide,2-[(3-methoxyphenyl)methylene]-
51146-74-8
C9H11N3OS
209.26814
名称和标识符
InChIKey |
FRKKQKDSWAUADS-IZZDOVSWSA-N |
Inchi |
InChI=1S/C9H11N3OS/c1-13-8-4-2-3-7(5-8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6+ |
SMILES |
COC1=CC=CC(=C1)C=NNC(=S)N |
别名信息
- 英文别名 -
- Hydrazinecarbothioamide,2-[(3-methoxyphenyl)methylene]-
- [(3-methoxyphenyl)methylideneamino]thiourea
- [(E)-(3-methoxyphenyl)methylideneamino]thiourea
- (E)-1-(3-methoxybenzylidene)thiosemicarbazide
- {[(1E)-2-(3-methoxyphenyl)-1-azavinyl]amino}aminomethane-1-thione
- 3-methoxybenzaldehyde thiosemicarbazone
- 3-methoxy-benzaldehyde-thiosemicarbazone
- 3-Methoxy-benzaldehyd-thiosemicarbazon
- AC1NT9UH
- AF-960
- CHEMBL241894
- ITH000387
- NSC69594
- 2-(3-Methoxybenzylidene)Hydrazinecarbothioamide
- 2-(3-Methoxybenzylidene)Hydrazinecarbothioamide
- BDBM50356192
- BDBM50356192
- 51146-74-8
- 51146-74-8
- AF-960/00472018
- AF-960/00472018
- SR-01000076285
- SR-01000076285
- SR-01000076285-1
- SR-01000076285-1
- [(E)-[(3-METHOXYPHENYL)METHYLIDENE]AMINO]THIOUREA
- [(E)-[(3-METHOXYPHENYL)METHYLIDENE]AMINO]THIOUREA
- NSC-69594
- NSC-69594
- Z49561668
- Z49561668
- 3-Methoxybenzaldehyde thiosemicarbazone
- 3-Methoxybenzaldehyde thiosemicarbazone
- DTXSID40418766
- AKOS000304426
- DTXSID40418766
- AKOS000304426
物化性质
实验特性
LogP |
1.95350 |
PSA |
59.64 |
折射率 |
1.6 |
沸点 |
364°Cat760mmHg |
闪点 |
174°C |
密度 |
1.23 |
计算特性
精确分子量 |
209.06243 |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
209.062 |
重原子数量 |
14 |
复杂度 |
220 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
1 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.9 |
拓扑分子极性表面积 |
91.7A^2 |