558484-21-2 (2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion,Propanoic acid, 2-[[(dodecylthio)thioxomethyl]thio]-)

结构式：

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propionMOL文件

CAS号：

558484-21-2

中文名称：

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion

英文名称：

Propanoic acid, 2-[[(dodecylthio)thioxomethyl]thio]-

安全信息：

分子式：

C₁₆H₃₀O₂S₃

分子量：

350.603201389313

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion(558484-21-2)名称与标识符

名称

中文别名：

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion;2-（十二烷基硫代羰基硫代硫基硫基）丙酸;

英文别名：

Propanoic acid, 2-[[(dodecylthio)thioxomethyl]thio]-;2-(Dodecylthiocarbonothioylthio)propanoic acid;2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}propanoic acid;DoPAT;2-(Dodecylthiocarbonothioylthio)propionic acid;SCHEMBL181033;2-((dodecylsulfanyl)carbonothioyl)sulfanyl propionic acid;MFCD22200510;2-dodecylsulfanylcarbothioylsulfanylpropanoic acid;DoPAT?;AKOS040767942;CS-0133413;CFCFZJHCTNKHGJ-UHFFFAOYSA-N;2-(((dodecylthio)carbonothioyl)thio)propanoic acid;558484-21-2;starbld0023248;BS-46987;E73861;2-(Dodecylthiocarbonothioylthio)propionic acid, 97%;2-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}PROPANOIC ACID;955-889-6;

标识符

MDL：

MFCD22200510

InChIKey：

CFCFZJHCTNKHGJ-UHFFFAOYSA-N

Inchi：

1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)

SMILES：

S(C(=S)SC(C(=O)O)C)CCCCCCCCCCCC

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion(558484-21-2)物化性质

实验特性

熔点 : 78-82 °C

计算特性

精确分子量 : 350.14079372g/mol
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 15
同位素质量 : 350.14079372g/mol
重原子数量 : 21
复杂度 : 283
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 : 1
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） : 7.8
拓扑分子极性表面积 : 120Å²

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion(558484-21-2)安全信息

符号： GHS07
WGK Germany： 3
安全说明： 26
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319-H335-H413
警示性声明：P280-P304+P340+P312-P305+P351+P338-P337+P313
储存条件： 2-8°C
危险类别码： 36/37/38-53
信号词： Warning

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion(558484-21-2)推荐厂家更多厂家(24)

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2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion(558484-21-2)谱图信息

1H NMR

300 MHz

DMSO

13C NMR

2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion(558484-21-2)相关文献

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960化工网为您提供2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid; 2-(((Dodecylthio)carbonothioyl)thio)propanoate; 2-(((Dodecylthio)carbonothioyl)thio)propanoic acid; 2-(Dodecylthiocarbonothioylthio)propion专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.558484-21-2,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:558484-21-2 国际站:558484-21-2