5-甲基-4H-1,2,4-噻唑-3-羧酸乙酯 | 40253-47-2
5-甲基-4H-1,2,4-噻唑-3-羧酸乙酯
Ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate
40253-47-2
C6H9N3O2
155.1546
名称和标识符
MDL |
MFCD09839101 |
InChIKey |
TXHKICGVVGEHBN-UHFFFAOYSA-N |
Inchi |
1S/C6H9N3O2/c1-3-11-6(10)5-7-4(2)8-9-5/h3H2,1-2H3,(H,7,8,9) |
SMILES |
O(C(C1=NN([H])C(C([H])([H])[H])=N1)=O)C([H])([H])C([H])([H])[H] |
别名信息
- 英文别名 -
- Ethyl 5-methyl-4H-1,2,4-triazole-3-carboxylate
- 3-methyl-1H-1,2,4-Triazole-5-carboxylic acid ethyl ester
- ETHYL 5-METHYL-2H-1,2,4-TRIAZOLE-3-CARBOXYLATE
- Ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate
- ETHYL 3-METHYL-1H-1,2,4-TRIAZOLE-5-CARBOXYLATE
- TXHKICGVVGEHBN-UHFFFAOYSA-N
- NE14826
- AB53502
- ST2406976
- E
- ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate
- 5-Methyl-2H-[1,2,4]triazole-3-carboxylic acid ethyl ester
物化性质
实验特性
LogP |
0.28980 |
PSA |
67.87000 |
计算特性
精确分子量 |
155.06900 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
重原子数量 |
11 |
复杂度 |
151 |
拓扑分子极性表面积 |
67.9 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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