3,3'-(丙烷-2,2-二基双(硫烷二基))二丙酸 | 4265-59-2
3,3'-(丙烷-2,2-二基双(硫烷二基))二丙酸
Propanoic acid, 3,3'-[(1-methylethylidene)bis(thio)]bis-
4265-59-2
C9H16O4S2
252.35094
名称和标识符
MDL |
MFCD32068154 |
InChIKey |
QMHSRLRLGYJODR-UHFFFAOYSA-N |
Inchi |
InChI=1S/C9H16O4S2/c1-9(2,14-5-3-7(10)11)15-6-4-8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13) |
SMILES |
OC(CCSC(SCCC(=O)O)(C)C)=O |
别名信息
- 中文别名 -
- 3,3'-(丙烷-2,2-二基双(硫烷二基))二丙酸
- 英文别名 -
- Propanoic acid, 3,3'-[(1-methylethylidene)bis(thio)]bis-
- 3-[2-(2-carboxyethylsulfanyl)propan-2-ylsulfanyl]propanoic acid
- LCZC1096
- LCZC1096
- BS-48695
- BS-48695
- BS-48695
- 3-[2-(2-carboxyethylsulfanyl)propan-2-ylsulfanyl]propanoic Acid
- 3-[2-(2-carboxyethylsulfanyl)propan-2-ylsulfanyl]propanoic Acid
- 3-[2-(2-carboxyethylsulfanyl)propan-2-ylsulfanyl]propanoic Acid
- 4265-59-2
- 4265-59-2
- 4265-59-2
- EX-A3386
- EX-A3386
- EX-A3386
- 3,3'-(propane-2,2-diylbis(sulfanediyl))dipropanoic acid
- 3,3'-(propane-2,2-diylbis(sulfanediyl))dipropanoic acid
- 3,3'-(propane-2,2-diylbis(sulfanediyl))dipropanoic acid
- 3,3'-(propane-2,2-diylbis(sulfanediyl))dipropionic acid
- 3,3'-(propane-2,2-diylbis(sulfanediyl))dipropionic acid
- 3,3'-(propane-2,2-diylbis(sulfanediyl))dipropionic acid
- SCHEMBL21600666
- SCHEMBL21600666
- SCHEMBL21600666
- CS-0162759
- CS-0162759
- CS-0162759
- DTXSID70289921
- DTXSID70289921
- DTXSID70289921
- MFCD32068154
- MFCD32068154
- MFCD32068154
- 5,5-dimethyl-4,6-dithia-nonanedioic acid
- 5,5-dimethyl-4,6-dithia-nonanedioic acid
- 5,5-dimethyl-4,6-dithia-nonanedioic acid
- 5,5-dimethyl-4,6-dithianonanedioic acid
- 5,5-dimethyl-4,6-dithianonanedioic acid
- 5,5-dimethyl-4,6-dithianonanedioic acid
- Y14763
- Y14763
- Y14763
物化性质
实验特性
计算特性
精确分子量 |
252.04908 |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
8 |
同位素质量 |
252.049 |
重原子数量 |
15 |
复杂度 |
206 |
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) |
1.2 |
拓扑分子极性表面积 |
125Ų |