Methyl 3-isothiocyanato-2-thiophenecarboxylate
CAS 81321-10-0 MFCD00052589
化学结构图
SMILES: COC(=O)C1SC=CC=1N=C=S
化学属性
| Mol. Formula | C7H5NO2S2 |
|---|---|
| Mol. Weight | 199 |
| Melting Point | 57-58° |
别名和识别编码
| Chemical Name | methyl 3-isothiocyanatothiophene-2-carboxylate |
|---|---|
| CAS Number | 81321-10-0 |
| Alfabeta Name | METHYLISOTHIOCYANATOTHIOPHENECARBOXYLATE 32--- |
| MDL Number | MFCD00052589 |
| Synonym | methyl 3-isothiocyanatothiophene-2-carboxylate |
| Chemical Name Translation |
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资金保障
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分类
- {KO} Isothiocyanates
- {KO} Esters
- {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
相关文献及参考
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
0
LogP
1
