HCID102307

Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1)

2,3-dimethyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate

C16H17NO3S2335.4 g/molCAS 2654-52-6

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IDENTITY

结构与身份

标准 SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.Cc1sc2ccccc2[n+]1C
InChIKey: GYHJFWZSCIYJKD-UHFFFAOYSA-M
分子式: C16H17NO3S2
平均分子量: 335.4 g/mol
单同位素质量: 335.06498575

COMPUTED

结构计算性质

已同步

极性表面积: 97.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 22
形式电荷: 0
复杂度: 342

USES

用途与制造

来源：PubChem

General Manufacturing Information

Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1): ACTIVE

ALIASES

名称与别名

共 27 条

2,3-Dimethylbenzothiazolium p-toluenesulphonateEINECS 220-179-0DTXSID8062577Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1)Benzothiazolium, 2,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)RefChem:118568DTXCID5037523220-179-02654-52-62,3-dimethylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate2,3-dimethylbenzothiazolium tosylate2,3-dimethyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate2,3-Dimethyl-1,3-benzothiazol-3-ium,4-methylbenzene-1-sulfonate2,3-dimethyl-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonateSCHEMBL316151N,2-dimethylbenzothiazolium tosylateSTK874213AKOS005611210FD151807NS00049490

REACTIONS