基本信息
CAS号：
88-52-8
分子式：
C7H10N2O3S
分子量：
202.230900287628
名称与标识
名称
英文别名：
Benzenesulfonic acid,2,4-diamino-5-methyl-;2,4-Diamino-5-methylbenzenesulfonic acid;4,6-diaminotoluene-3-sulphonic acid;DTXSID1058971;2,4-Diaminotoluene-5-sulfonic acid;88-52-8;4,6-Diaminotoluene-3-sulfonic acid;Benzenesulfonic acid, 2,4-diamino-5-methyl-;EINECS 201-838-1;SCHEMBL428347;Benzenesulfonic acid,4-diamino-5-methyl-;NS00039277;m-Toluenesulfonic acid, 4,6-diamino-;2,4-Tolylenediamine-5-sulfonic acid;NSC 8621;m-Toluenesulfonic acid,6-diamino-;NSC-8621;NSC8621;5-Methyl-2,4-diaminobenzenesulfonic acid;
标识符
InChIKey：
XAQCYASNAMYTQA-UHFFFAOYSA-N
Inchi：
1S/C7H10N2O3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,8-9H2,1H3,(H,10,11,12)
SMILES：
S(C1C=C(C)C(=CC=1N)N)(=O)(=O)O
物化性质
实验特性
- LogP : 2.64930
- PSA : 114.79000
- 折射率 : 1.657
- 密度 : 1.52
计算特性
- 精确分子量 : 202.041213
- 氢键供体数量 : 3
- 氢键受体数量 : 5
- 可旋转化学键数量 : 1
- 同位素质量 : 202.041213
- 重原子数量 : 13
- 复杂度 : 272
- 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） : 0.2
- 拓扑分子极性表面积 : 115
Benzenesulfonic acid,2,4-diamino-5-methyl-(88-52-8)推荐厂家 更多厂家(1)
| 公司名称 | 手机号/电话 | 联系人 | 微信 | 询单 | |
|---|---|---|---|---|---|
| 宁波海曙唐彩化工有限公司 | 询单 |
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![（2S，3R，4R，5R）-4-{[（2R，3R，4S，5R，6S）-3,4,5,6-四羟基四氢-2H-吡喃-2-基]氧基}己烷-1,2,3,5,6-戊醇二水合物（非优选名称）](http://hg.y866.cn/compound/lib/scimg/cas/150/81025-03-8.png "（2S，3R，4R，5R）-4-{[（2R，3R，4S，5R，6S）-3,4,5,6-四羟基四氢-2H-吡喃-2-基]氧基}己烷-1,2,3,5,6-戊醇二水合物（非优选名称）")
