4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
概要:4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol(CAS 312505-13-8)是一种化学化合物,分子式为C11H13N3OS,分子量为235.08 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。
4-methyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
又称:4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, TimTec1_004164, 4-Methyl-5-((o-tolyloxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-methyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, BB 0217282
| 分子式 | C11H13N3OS |
|---|---|
| 分子量 | 235.08 g/mol |
| LogP | 2.0 |
| 拓扑极性表面积 | 69.0 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 3 |
| 精确质量 | 235.07793 |
| 重原子数 | 16 |
| 复杂度 | 306.0 |
化学标识符
| CAS 编号 | 312505-13-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NNC(=S)N2C |
| InChIKey | ZIAZOOGALKWASS-UHFFFAOYSA-N |
产品概述
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol(CAS 312505-13-8),分子式为C11H13N3OS,分子量为235.08 g/mol。IUPAC名:4-methyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione。
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol化学性质概览
属性洞察:4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的XLogP值为2.0,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为69.0 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol有1个氢键供体和3个氢键受体,均在类药范围内,提示具有较好的口服生物利用度潜力。
常见问题
常见问题
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的CAS号是多少?
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的CAS号为312505-13-8。
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的分子式是什么?
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的分子式为C11H13N3OS。
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的分子量是多少?
4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的分子量为235.08 g/mol。
在哪里可以购买4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
您可以直接向科弘生物询价4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol的定制合成服务?
是的,科弘生物提供4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol及相关化合物的定制合成服务。请联系我们并告知您的具体需求,包括数量、纯度和交期。