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1,4-Oxathiane, 4-oxide

更新时间:2026-08-03 14:56:14

1,4-Oxathiane, 4-oxide结构式
1,4-Oxathiane, 4-oxide结构式
品牌特惠专场
常用名 1,4-Oxathiane, 4-oxide 英文名 1,4-Oxathiane, 4-oxide
CAS号 109-03-5 分子量 120.17000
密度 1.29g/cm3 沸点 322ºC at 760 mmHg
分子式 C4H8O2S 熔点 N/A
MSDS N/A 闪点 148.5ºC

 1,4-Oxathiane, 4-oxide名称

英文名 1,4-oxathiane 4-oxide
英文别名 更多

 1,4-Oxathiane, 4-oxide物理化学性质

密度 1.29g/cm3
沸点 322ºC at 760 mmHg
分子式 C4H8O2S
分子量 120.17000
闪点 148.5ºC
精确质量 120.02500
PSA 45.51000
LogP 0.63100
InChIKey GAUOLZMDPTWNNX-UHFFFAOYSA-N
SMILES O=S1CCOCC1
蒸汽压 0.00054mmHg at 25°C
折射率 1.54
分子结构

1、 摩尔折射率:29.13

2、 摩尔体积(cm3/mol):92.8

3、 等张比容(90.2K):253.9

4、 表面张力(dyne/cm):56.0

5、 极化率(10-24cm3):11.54

计算化学

1.疏水参数计算参考值(XlogP):-1.1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积45.5

7.重原子数量:7

8.表面电荷:0

9.复杂度:73.8

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

 1,4-Oxathiane, 4-oxide安全信息

海关编码 2934999090

 1,4-Oxathiane, 4-oxide合成线路

~98%

1,4-Oxathiane, 4-oxide结构式

1,4-Oxathiane, ...

109-03-5

查看详情
文献:Ali, Mohammed Hashmat; Leach, Damon R.; Schmitz, Chad E. Synthetic Communications, 1998 , vol. 28, # 16 p. 2969 - 2981

~99%

1,4-Oxathiane, 4-oxide结构式

1,4-Oxathiane, ...

109-03-5

查看详情
文献:Kamata, Keigo; Hirano, Tomohisa; Ishimoto, Ryo; Mizuno, Noritaka Dalton Transactions, 2010 , vol. 39, # 23 p. 5509 - 5518

~54%

1,4-Oxathiane, 4-oxide结构式

1,4-Oxathiane, ...

109-03-5

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文献:Gusarova; Chernysheva; Yas'ko; Korchevin; Klyba; Trofimov Doklady Chemistry, 2007 , vol. 412, # 1 p. 5 - 6

~%

1,4-Oxathiane, 4-oxide结构式

1,4-Oxathiane, ...

109-03-5

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文献:Chernysheva; Gusarova; Yas'ko; Sinegovskaya; Trofimov Russian Journal of General Chemistry, 2008 , vol. 78, # 5 p. 933 - 938

~%

1,4-Oxathiane, 4-oxide结构式

1,4-Oxathiane, ...

109-03-5

查看详情
文献:Cashmore Journal of the Chemical Society, 1923 , vol. 123, p. 1740

~%

1,4-Oxathiane, 4-oxide结构式

1,4-Oxathiane, ...

109-03-5

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文献:Miotti, Umberto Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1991 , # 5 p. 617 - 622

 1,4-Oxathiane, 4-oxide上下游产品

1,4-Oxathiane, 4-oxide上游产品  4

1,4-Oxathiane, 4-oxide下游产品  0

 1,4-Oxathiane, 4-oxide海关

海关编码 2934999090
中文概述 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 1,4-Oxathiane, 4-oxide靶点实验

查看更多实验

实验名称:In vitro inhibition against horse liver alcohol dehydrogenase
来源:ChEMBL
靶标:Alcohol dehydrogenase S chain
External Id:CHEMBL643567
共1条,当前第1页,共1页
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 1,4-Oxathiane, 4-oxide英文别名

1,4-Oxathiane oxide
1,4-thioxane-S-oxide
1,4-thioxane 4-oxide
1,4-Oxathiane,4-oxide
1,4-oxide
1,4-oxathian-4-oxide
1,4-Thioxane sulfoxide
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