2-巯基苯并噻唑 AR，99%
MBT
品牌：桔子
产品编号：S30373
CAS号：149-30-4
分子式：C7H5NS2
分子量：167.25
MDL：MFCD00005781
| 产品名称 : | 2-巯基苯并噻唑 |
|---|---|
| 英文名称 : | MBT |
| 参考名称 : | 苯并噻唑-2-硫酮 |
| 参考英文名称 : | Benzo[d]thiazole-2(3H)-thione |
| CAS号 : | 149-30-4 |
| 分子式 : | C7H5NS2 |
| 分子量 : | 167.25 |
| SMILES : | S=C1SC2=CC=CC=C2N1 |
| MDL NO : | MFCD00005781 |
| PubChem CID : | 697993 |
| InChIKey : | YXIWHUQXZSMYRE-UHFFFAOYSA-N |
| 储存条件 : | RT&&2-8℃ |
实验性质
| 外观 / 形态 : | 2-mercaptobenzothiazole is a pale yellow to tan crystalline powder with a disagreeable odor. (NTP, 1992)；CRYSTALS WITH CHARACTERISTIC ODOUR.；Dry Powder; Other Solid; Large Crystals; Wet Solid; Other Solid; Dry Powder; Large Crystals；Solid；Yellowish to tan crystalline powder; [HSDB] |
|---|---|
| 颜色 / 形态 : | Pale, yellow monoclinic needles or leaflets；Yellowish powder；Pale yellow monoclinic needles from alcohol or methanol；Cream to light yellow solid |
| 熔点 : | 177 - 179 °C；180-182 °C；180.2-181.7 °C；MP: 170-173 °C /Technical mercaptobenzothiazole/；181 °C；351 to 358 °F (NTP, 1992) |
| 沸点 : | Decomposes (NTP, 1992)；Not determinable experimentally by EU Method A.2 (Boiling Temperature) due to overlapping endothermic and exothermic reactions. |
| 密度 : | 1.42 @ 20°C；1.42 at 68 °F (NTP, 1992) - Denser than water; will sink；1.42 g/cm³；1.42 g/cu cm at 20 °C |
| 闪点 : | 243 °C；392 °F；392 °F (NTP, 1992) |
| 溶解性 : | In water at 25 °C, 51 mg/L (pH 5), 118 mg/L (pH 7), 900 mg/L (pH 9)；In pure water, 120 mg/L at 24 °C; in buffered creek water at 24 °C, 190 mg/L (pH 6.5), 230 mg/l (pH 7.5), 260 mg/L (pH 8.5)；Solubility at 25 °C (g/100 mL) in alcohol: 2.0; ether 1.0; acetone 10.0; benzene 1.0; carbon tetrachloride <0.2; naphtha <0.5. Moderately soluble in glacial acetic acid. Soluble in alkalies and alkali carbonate solutions；Soluble in dilute caustic soda, alcohol, acetone, benzene, chloroform; insoluble in water and gasoline.；For more Solubility (Complete) data for 2-MERCAPTOBENZOTHIAZOLE (6 total), please visit the HSDB record page. |
| 蒸气压 : | 0.000464 [mmHg]；2.25X10-8 mm Hg at 20 °C; <1.9X10-6 mm Hg at 25 °C |
| 解离常数 pKa : | pKa = 7.03 at 20 °C |
| LogP : | 2.42；log Kow = 2.41 |
| 自燃温度 : | 628 °C |
| 热分解说明 : | When heated to decomp ... it emits toxic /oxides of sulfur and oxides of nitrogen/. |
| 气味 : | Disagreeable odor；Distinctive odor (depends on degree of purification) |
计算性质
| LogP : | 2.4 |
|---|---|
| 极性表面积 (TPSA) : | 69.4 Ų |
| 氢键供体数 : | 1 |
| 氢键受体数 : | 2 |
| 可旋转键数 : | 0 |
| 精确质量 : | 166.98634151 Da |
| 重原子数 : | 10 |
| 分子复杂度 : | 158 |
资料来源：2-巯基苯并噻唑产品资料页；来源页标注 PubChem CID 697993，资料日期 2026-10-11。
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