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59401-04-6 (硫代磷酸二甲酯,Phosphorothioic acid, dimethyl ester)

结构式：

硫代磷酸二甲酯结构式图片|59401-04-6结构式图片

硫代磷酸二甲酯MOL文件

CAS号：

59401-04-6

中文名称：

硫代磷酸二甲酯

英文名称：

Phosphorothioic acid, dimethyl ester

分子式：

C₂H₇O₃PS

分子量：

142.113940477371

硫代磷酸二甲酯(59401-04-6)名称与标识符

名称

中文别名：

硫代磷酸二甲酯;

英文别名：

Phosphorothioic acid, dimethyl ester;DIMETHYLTHIOPHOSPHATE;dimethoxy-oxido-sulfanylidene-λ<sup>5</sup>-phosphane;dimethylthiophosphoric acid;AI3-21247;Phosphorothioic acid, O,O-dimethyl ester;DB04687;O,O-Dimethyl thiophosphoric acid;Q-201495;DTXSID10858736;Q27095433;O,O-DIMETHYL HYDROGEN THIOPHOSPHATE;1112-38-5;DZZ;O,O-Dimethyl S-hydrogen phosphorothioate;SCHEMBL587919;EN300-2034696;59401-04-6;AKOS015898678;O,O-Dimethylthiophosphate;6KM8HRE9WB;0,0-Dimethyl Thiophosphate;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane;DIMETHYL THIOPHOSPHATE;NS00067290;o,o-dimethyl thiophosphate;FT-0689959;dimethyl sulfanylphosphonate;UNII-6KM8HRE9WB;hydroxy-dimethoxy-sulfanylidenephosphorane;

标识符

InChIKey：

WWJJVKAEQGGYHJ-UHFFFAOYSA-N

Inchi：

1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)

SMILES：

S=P(O)(OC)OC

硫代磷酸二甲酯(59401-04-6)物化性质

实验特性

LogP : 1.58480
PSA : 41.52
沸点 : 172.4°Cat760mmHg
闪点 : 58.1°C

计算特性

精确分子量 : 140.97758
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 141.985
重原子数量 : 7
复杂度 : 84.9
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） : 0.7
拓扑分子极性表面积 : 70.8A^2

硫代磷酸二甲酯(59401-04-6)相关文献

1. Non-photochemical catalytic hydrolysis of methyl parathion using core–shell Ag@TiO2 nanoparticles
Somayeh Talebzadeh,Florian Forato,Bruno Bujoli,Scott A. Trammell,Stéphane Grolleau,Hemant Pal,Clémence Queffélec,D. Andrew Knight RSC Adv. 2018 8 42346
2. N-Chlorosuccinimide-promoted synthesis of thiophosphates from thiols and phosphonates under mild conditions
Yi-Chen Liu,Chin-Fa Lee Green Chem. 2014 16 357
3. Synthesis and steroid sulfatase inhibitory activities of N-alkanoyl tyramine phosphates and thiophosphates
Witold Kozak,Mateusz Da?ko,Agnieszka Wo?os,Maciej Mas?yk,Konrad Kubiński,Andrzej Sk?adanowski,Majus Misiak,Janusz Rachon,Sebastian Demkowicz RSC Adv. 2015 5 32594
4. An Au(iii)–amino alcohol complex for degradation of organophosphorus pesticides
D. Ferri,A. Barba-Bon,A. M. Costero,P. Gavi?a,M. Parra,S. Gil RSC Adv. 2015 5 106941
5. Dimethyl phosphorothioate and phosphoroselenoate ionic liquids as solvent media for cellulosic materials
Michael Hummel,Carmen Froschauer,Gerhard Laus,Thomas R?der,Holger Kopacka,Lauri K. J. Hauru,Hedda K. Weber,Herbert Sixta,Herwig Schottenberger Green Chem. 2011 13 2507
6. Mechanisms of abiotic degradation and soil–water interactions of pesticides and other hydrophobic organic compounds. Part 3. Nucleophilic displacement at the phosphorus centre of the pesticide fenitrothion [ O,O-dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate] by oxygen nucleophiles in aqueous solution: α-effect and mechanism
John E. Omakor,Ikenna Onyido,Gary W. vanLoon,Erwin Buncel OO-dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate] by oxygen nucleophiles in aqueous solution: α-effect and mechanism?. John E. Omakor Ikenna Onyido Gary W. vanLoon Erwin Buncel J. Chem. Soc. Perkin Trans. 2 2001 324
7. Analysis of dialkyl urine metabolites of organophosphate pesticides by a liquid chromatography mass spectrometry technique
Sukesh Narayan Sinha,B. Venkat Reddy,Kasturi Vasudev,M. Vishnu Vardhana Rao,M. Noor Ahmed,Shaik Ashu,Alka Kumari,Vijay Bhatnagar Anal. Methods 2014 6 1825
8. Conjugated polymers – a versatile platform for various photophysical, electrochemical and biomedical applications: a comprehensive review
Purushothaman Palani,Subramanian Karpagam New J. Chem. 2021 45 19182
9. Conformational changes of hapten-protein conjugates resulting in improved broad-specificity and sensitivity of an ELISA for organophosphorus pesticides
Zhen-Lin Xu,Hong Wang,Yu-Dong Shen,Mikaela Nichkova,Hong-Tao Lei,Ross C. Beier,Wen-Xu Zheng,Jin-Yi Yang,Zhi-Gang She,Yuan-Ming Sun Analyst 2011 136 2512
10. Conformational changes of hapten-protein conjugates resulting in improved broad-specificity and sensitivity of an ELISA for organophosphorus pesticides
Zhen-Lin Xu,Hong Wang,Yu-Dong Shen,Mikaela Nichkova,Hong-Tao Lei,Ross C. Beier,Wen-Xu Zheng,Jin-Yi Yang,Zhi-Gang She,Yuan-Ming Sun Analyst 2011 136 2512

目录

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问答

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