(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile
概要:(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile(CAS 31542-62-8)是一种化学化合物,分子式为C13H10N2S,分子量为226.06 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。
2-(8-methyl-2,3-dihydrothiochromen-4-ylidene)propanedinitrile
又称:KST-1A3733, 7-Methyl-4-thiochromanylidenmalondinitril, (8-methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile, 2-(8-methyl-2,3-dihydrothiochromen-4-ylidene)propanedinitrile, 2-(8-methyl-2,3-dihydrothiochromen-4-ylidene)propanedinitril
| 分子式 | C13H10N2S |
|---|---|
| 分子量 | 226.06 g/mol |
| LogP | 2.5 |
| 拓扑极性表面积 | 72.9 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 226.05647 |
| 重原子数 | 16 |
| 复杂度 | 388.0 |
化学标识符
| CAS 编号 | 31542-62-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(C#N)C#N)CCS2 |
| InChIKey | HGUOSZBUGKAIEN-UHFFFAOYSA-N |
产品概述
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile(CAS 31542-62-8),分子式为C13H10N2S,分子量为226.06 g/mol。IUPAC名:2-(8-methyl-2,3-dihydrothiochromen-4-ylidene)propanedinitrile。
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile化学性质概览
属性洞察:(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的XLogP值为2.5,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72.9 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,(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile有0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
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的CAS号是多少?
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的CAS号为31542-62-8。
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的分子式是什么?
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的分子式为C13H10N2S。
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的分子量是多少?
(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile的分子量为226.06 g/mol。
在哪里可以购买(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile?
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