5811-50-7 ((2-(1-carboxyethylsulfanyl)propanoic Acid)

快速询单

结构式：

2-(1-carboxyethylsulfanyl)propanoic AcidMOL文件

CAS号：

5811-50-7

英文名称：

2-(1-carboxyethylsulfanyl)propanoic Acid

分子式：

C₆H₁₀O₄S

分子量：

178.206201076508

2-(1-carboxyethylsulfanyl)propanoic Acid(5811-50-7)名称与标识符

名称

英文别名：

2-(1-carboxyethylsulfanyl)propanoic Acid;(+-)-2.2'-Thio-dipropionsaeure;2-(1-hydroxy-1-oxopropan-2-yl)sulfanylpropanoic acid;AC1L7SX2;DL-Thiodilactylsaeure;NSC243170;racem.-2,4-dimethyl-3-thia-glutaric acid;racem.-2,4-Dimethyl-3-thia-glutarsaeure;racem.-Bis-(1-carboxy-aethyl)-sulfid;5811-50-7;NSC-243170;DTXSID60311427;AKOS009075671;2,2'-Sulfanediyldipropanoic acid;SCHEMBL78432;

标识符

InChIKey：

XVGDJNZHNCJHIP-UHFFFAOYSA-N

Inchi：

1S/C6H10O4S/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

SMILES：

S(C(C(=O)O)C)C(C(=O)O)C

2-(1-carboxyethylsulfanyl)propanoic Acid(5811-50-7)物化性质

实验特性

LogP : 0.66580
PSA : 74.6
折射率 : 1.533
沸点 : 351.5°C at 760 mmHg
闪点 : 166.4°C
密度 : 1.354

计算特性

精确分子量 : 178.03
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 4
同位素质量 : 178.03
重原子数量 : 11
复杂度 : 150
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 : 2
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） : 0.9
拓扑分子极性表面积 : 99.9Å²

2-(1-carboxyethylsulfanyl)propanoic Acid(5811-50-7)相关文献

1. Intra- and inter-molecular electron transfer reactions in 3,3′-thiodipropionic acid
Hari Mohan J. Chem. Soc. Perkin Trans. 2 1990 1821
2. Controlling the electrochemical activity of dahlia-like β-NiS@rGO by interface polarization
Yiqing Wei,Xuefeng Zou,Chao Cen,Bin Zhang,Bin Xiang,Jiangyu Hao,Bo Wang,Mingsen Deng,Qin Hu,Shicheng Wei Dalton Trans. 2023 52 1345
3. Naked-eye detection and thermochromic properties of Cu(ii)-3,3′-thiodipropionate complexes with benzimidazole
Mürsel Ar?c?,Okan Zafer Ye?ilel,Murat Ta? Dalton Trans. 2015 44 1627
4. Naked-eye detection and thermochromic properties of Cu(ii)-3,3′-thiodipropionate complexes with benzimidazole
Mürsel Ar?c?,Okan Zafer Ye?ilel,Murat Ta? Dalton Trans. 2015 44 1627
5. Synthesis and crystal structures of a copper(ii) dinuclear complex and zinc(ii) coordination polymers as materials for efficient oxidative desulfurization of dibenzothiophene
Adedibu C. Tella,Adetola C. Oladipo,Vincent O. Adimula,Olanrewaju A. Ameen,Susan A. Bourne,Adeniyi S. Ogunlaja New J. Chem. 2019 43 14343
6. Redox-responsive supramolecular amphiphiles constructed via host–guest interactions for photodynamic therapy
Feng Liu,Yufei Ma,Lei Xu,Lichao Liu,Weian Zhang Biomater. Sci. 2015 3 1218
7. Preparation of gold, platinum, palladium and silver nanoparticles by the reduction of their salts with a weak reductant–potassium bitartrate
Yiwei Tan,Xinhua Dai,Yongfang Li,Daoben Zhu J. Mater. Chem. 2003 13 1069
8. 149. The formation of ββ′-thiodipropionitrile (di-2-cyanoethyl sulphide) and a study of its derivatives
J. H. MacGregor,C. Pugh J. Chem. Soc. 1950 736
9. Mechanisms of antioxidant action: esters of thiodipropionic acid
Gerald Scott Chem. Commun. (London) 1968 1572
10. Index pages
J. Chem. Soc. Perkin Trans. 2 1990 A001

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