3,3-双(溴甲基)-2,4-二氢噻并[3,4-B][1,4]二氧杂环庚烯 | 701209-98-5
3,3-双(溴甲基)-2,4-二氢噻并[3,4-B][1,4]二氧杂环庚烯
3,3-bis(bromomethyl)-2H,3H,4H-thieno3,4-b1,4dioxepine
701209-98-5
C9H10Br2O2S
342.0475
名称和标识符
InChIKey |
JSDPDQPADLMIHM-UHFFFAOYSA-N |
Inchi |
1S/C9H10Br2O2S/c10-3-9(4-11)5-12-7-1-14-2-8(7)13-6-9/h1-2H,3-6H2 |
SMILES |
BrC([H])([H])C1(C([H])([H])Br)C([H])([H])OC2=C([H])SC([H])=C2OC1([H])[H] |
别名信息
- 中文别名 -
- 3,3-双(溴甲基)-3,4-二氢-2H-噻吩并[3,4-b][1,4]二氧杂环庚烷
- 英文别名 -
- 2H-Thieno[3,4-b][1,4]dioxepin, 3,3-bis(bromomethyl)-3,4-dihydro-
- 3,3-bis(bromomethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
- 2H-Thieno[3,4-b][1,4]dioxepin,3,3-bis(bromomethyl)-3,4-dihydro
- 3,3-bis(bromomethyl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
- JSDPDQPADLMIHM-UHFFFAOYSA-N
- 3,3-bis(bromomethyl)-2H,3H,4H-thieno3,4-b1,4dioxepine
- 3,3-bis(bromomethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
- 3,3-bis(bromomethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
- 3,3-bis(bromomethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
- E85501
- E85501
- E85501
- 2H-Thieno[3,4-b][1,4]dioxepin,3,3-bis(bromomethyl)-3,4-dihydro-
- 2H-Thieno[3,4-b][1,4]dioxepin,3,3-bis(bromomethyl)-3,4-dihydro-
- 2H-Thieno[3,4-b][1,4]dioxepin,3,3-bis(bromomethyl)-3,4-dihydro-
- SCHEMBL181627
- SCHEMBL181627
- SCHEMBL181627
- EN300-1708024
- EN300-1708024
- EN300-1708024
- 3,3-Bis(bromomethyl)-2H,3H,4H-thieno[3,4-b][1,4]dioxepine
- 3,3-Bis(bromomethyl)-2H,3H,4H-thieno[3,4-b][1,4]dioxepine
- 3,3-Bis(bromomethyl)-2H,3H,4H-thieno[3,4-b][1,4]dioxepine
- 701209-98-5
- 701209-98-5
- 701209-98-5
- BDB20998
- BDB20998
- BDB20998
- BS-52663
- BS-52663
- BS-52663
- DTXSID70732447
- DTXSID70732447
- DTXSID70732447
物化性质
实验特性
LogP |
3.29550 |
PSA |
46.70000 |
计算特性
精确分子量 |
339.87700 |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
339.87683g/mol |
重原子数量 |
14 |
复杂度 |
183 |
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) |
3 |
拓扑分子极性表面积 |
46.7 |