5-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole-3-thiol
CAS N/A MFCD00244456
化学结构图
SMILES: CC(C)N1C(S)=NN=C1CSCC1C=CC(Cl)=CC=1Cl
化学属性
| Mol. Formula | C13H15Cl2N3S2 |
|---|---|
| Mol. Weight | 348.32 |
| Melting Point | 137-140° |
别名和识别编码
| Chemical Name | 5-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole-3-thiol |
|---|---|
| Alfabeta Name | DICHLOROBENZYLSULFANYLMETHYLISOPROPYLTRIAZOLETHIOL H524441243[]()---------,,,{} |
| MDL Number | MFCD00244456 |
分类
- {KO} Thiols
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
2
Rotatable Bonds
5
H-bond Donors
1
LogP
4
