uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04255509
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(S(=O)(=O)O)c(C)cc1N
- InChIKey
- QTYQPEBQHHUSIK-UHFFFAOYSA-N
- 分子式
- C8H11NO3S
- 平均分子量
- 201.25 g/mol
- 单同位素质量
- 201.04596439
COMPUTED
结构计算性质
- XLogP
- 0.7
- 极性表面积
- 88.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 270
USES
用途与制造
General Manufacturing Information
Benzenesulfonic acid, 4-amino-2,5-dimethyl-: INACTIVE
ALIASES
名称与别名
Benzenesulfonic acid, 4-amino-2,5-dimethyl-EINECS 248-718-52-Amino-1,4-dimethylbenzene-5-sulfonic acidRefChem:5645242,5-Dimethylsulfanilic acid27897-08-12,5-Dimethylsulphanilic acid4-amino-2,5-dimethylbenzenesulfonic acid4-amino-2,5-dimethylbenzene-1-sulfonic acid367YWG3CZ4SCHEMBL7757151SCHEMBL9321421DTXSID50673464-Amino-2,5-xylenesulfonic acid2,5-dimethyl-4-aminobenzenesulfonic acid4-amino-2,5-dimethyl-benzenesulfonic acidNS00028383
REACTIONS