2-dimethoxyphosphoryl-1,3-dithiole | 133113-76-5
2-dimethoxyphosphoryl-1,3-dithiole
Dimethyl 2-(1,3-Dithiole)phosphonate
133113-76-5
C5H9O3PS2
212.2269
名称和标识符
MDL |
MFCD29050518 |
InChIKey |
ZQRMTDYBPMYORJ-UHFFFAOYSA-N |
Inchi |
1S/C5H9O3PS2/c1-7-9(6,8-2)5-10-3-4-11-5/h3-5H,1-2H3 |
SMILES |
S1C([H])=C([H])SC1([H])P(=O)(OC([H])([H])[H])OC([H])([H])[H] |
别名信息
- 中文别名 -
- 2-(1,3-二噻吩)磷酸二甲酯
- Dimethyl 2-(1,3-Dithiole)phosphonate 2-(1,3-二噻吩)磷酸二甲酯
- 英文别名 -
- 2-dimethoxyphosphoryl-1,3-dithiole
- 2-(1,3-Dithiole)phosphonic Acid Dimethyl Ester
- dimethyl (1,3-dithiol-2-yl)phosphonate
- dimethyl 1,3-dithiol-2-ylphosphonate
- D3981
- AG-L-21965
- ACMC-20muta
- 2-dimethoxyphosphinyl-1,3-dithiole
- Phosphonic acid, 1,3-dithiol-2-yl-, dimethyl ester
- CTK0F4836
- DiMethyl 2-(1,3-Dithiole)phosphonate
- NULL
物化性质
实验特性
LogP |
2.70710 |
PSA |
95.94000 |
折射率 |
1.5590-1.5630 |
计算特性
精确分子量 |
211.97300 |
氢键供体数量 |
0 |
氢键受体数量 |
5 |
可旋转化学键数量 |
3 |
重原子数量 |
11 |
复杂度 |
190 |
疏水参数计算参考值(XlogP) |
0.8 |
拓扑分子极性表面积 |
86.1 |
参考资料
Reaxys RN |
4247711 |
Beilstein |
D155271 |
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