96-68-4 ((Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-)

快速询单

结构式：

Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-MOL文件

CAS号：

96-68-4

英文名称：

Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-

分子式：

C₁₀H₁₄O₄S

分子量：

230.280762195587

Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-(96-68-4)名称与标识符

名称

英文别名：

Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid;5-hydroxy-p-cymene-2-sulphonic acid;5-Hydroxy-p-cymene-2-sulfonic acid;Benzenesulfonic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-;NCIOpen2_007298;NCIOpen2_008613;NSC 104578;96-68-4;NSC-2226;NCIOpen2_009961;NS00040498;EINECS 202-524-7;NSC 2226;NSC2226;NCIOpen2_008116;NSC104578;p-Cymene-2-sulfonic acid, 5-hydroxy-;NCIOpen2_008493;7PZV7H59QI;NSC-104578;DTXSID70242071;SCHEMBL392143;NCIMech_000012;Thymolsulfonic acid;Thymol-6-sulfonic acid;UNII-7PZV7H59QI;6-Thymolsulfonic acid;

标识符

InChIKey：

LYWNNXMNOSKLHY-UHFFFAOYSA-N

Inchi：

1S/C10H14O4S/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11/h4-6,11H,1-3H3,(H,12,13,14)

SMILES：

S(C1=C(C)C=C(C(=C1)C(C)C)O)(=O)(=O)O

Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-(96-68-4)物化性质

计算特性

精确分子量 : 230.06128010g/mol
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 230.06128010g/mol
重原子数量 : 15
复杂度 : 304
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.8
拓扑分子极性表面积 : 83Å²

Benzenesulfonic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-(96-68-4)推荐厂家更多厂家(1)

公司名称	手机号/电话	联系人	QQ	微信	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695		询单

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