2,2'-[亚甲基双(硫)]二苯并噻唑 | 6270-36-6
2,2'-[亚甲基双(硫)]二苯并噻唑
2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-1,3-benzothiazole
6270-36-6
C15H10N2S4
346.5133
名称和标识符
InChIKey |
MXPRFFFCRFBOPX-UHFFFAOYSA-N |
Inchi |
1S/C15H10N2S4/c1-3-7-12-10(5-1)16-14(20-12)18-9-19-15-17-11-6-2-4-8-13(11)21-15/h1-8H,9H2 |
SMILES |
S1C(=NC2=C([H])C([H])=C([H])C([H])=C12)SC([H])([H])SC1=NC2=C([H])C([H])=C([H])C([H])=C2S1 |
别名信息
- 英文别名 -
- 2-(1,3-benzothiazol-2-ylsulfanylmethylsulfanyl)-1,3-benzothiazole
- AC1L5T4B
- AC1Q4WK2
- benzothiazole, 2,2'-[methylenebis(thio)]bis-
- bis(benzothiazol-2-ylsulfanyl)methane
- bis(benzothiazole-2-thiol)methane
- Bis-benzothiazol-2-ylmercapto-methan
- bis-benzothiazol-2-ylmercapto-methane
- CBMicro_017478
- F0046-0036
- NCIStruc1_001030
- NSC35582
- 2,2'-(Methylenedithio)bisbenzothiazole
- bis(benzo[d]thiazol-2-ylthio)methane
- MLS000738103
- AS97GT9Z98
- SMR000393867
- 2,2'-[methylenebis(thio)]bis-Benzothiazole
- 2-(((1,3-benzothiazol-2-ylthio)methyl)thio)-1,3-benzothiazole
- 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-1,3-benzothiazole
- 2-{[(1,3-benzothiazol-2-ylthio)methyl]thio}-1,3-benzothiazole
- starbld0030725
- Benzothiazole, 2,2'-(met
物化性质
实验特性
计算特性
精确分子量 |
345.9729 |
氢键供体数量 |
0 |
氢键受体数量 |
6 |
可旋转化学键数量 |
4 |
重原子数量 |
21 |
复杂度 |
325 |
疏水参数计算参考值(XlogP) |
5.4 |
拓扑分子极性表面积 |
133 |