1484-17-9 (S-乙基硫代苯甲酸酯,S-Ethyl thiobenzoate)

快速询单

结构式：

S-乙基硫代苯甲酸酯MOL文件

CAS号：

1484-17-9

中文名称：

S-乙基硫代苯甲酸酯

英文名称：

S-Ethyl thiobenzoate

分子式：

C₉H₁₀OS

分子量：

166.240101337433

S-乙基硫代苯甲酸酯(1484-17-9)名称与标识符

名称

英文别名：

S-Ethyl thiobenzoate;S-ethyl benzenecarbothioate;Thiobenzoic acid S-ethyl ester;1484-17-9;S-Ethyl benzenecarbothioate #;MFCD00040060;DTXSID50333072;SCHEMBL1641518;Benzenecarbothioic acid, S-ethyl ester;Benzoic acid, thio-, S-ethyl ester;XZJPOQGUMFRLEW-UHFFFAOYSA-N;

标识符

MDL：

MFCD00040060

InChIKey：

XZJPOQGUMFRLEW-UHFFFAOYSA-N

Inchi：

1S/C9H10OS/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

SMILES：

S(C(C1C=CC=CC=1)=O)CC

S-乙基硫代苯甲酸酯(1484-17-9)物化性质

实验特性

PSA : 17.07

计算特性

精确分子量 : 166.0453
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 166.04523611g/mol
重原子数量 : 11
复杂度 : 128
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） : 2.7
拓扑分子极性表面积 : 42.4Å²

S-乙基硫代苯甲酸酯(1484-17-9)相关文献

1. Flash vacuum pyrolysis of stabilised phosphorus ylides. Part 15.1 Generation of alkoxycarbonyl(sulfenyl)carbenes and their intramolecular insertion to give alkenyl sulfides
R. Alan Aitken,Jill M. Armstrong,Martin J. Drysdale,Fiona C. Ross,Bruce M. Ryan J. Chem. Soc. Perkin Trans. 1 1999 593
2. Acylation. Part XXXV. The silver ion-catalysed n-butaminolysis of S-ethyl thiobenzoate in aqueous solutions
Barbara Boopsingh,D. P. N. Satchell J. Chem. Soc. Perkin Trans. 2 1972 1288
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4. The kinetics and mechanism of the mercurous ion-promoted hydrolysis of S-thio esters
Geeta Patel,Rosemary S. Satchell J. Chem. Soc. Perkin Trans. 2 1979 458
5. Preparation of 5H-1,4,2-dithiazoles via 1,3-dipolar cycloadditions of nitrile sulphides to thiocarbonyl compounds; the first synthesis of a 3,5-diaryl-1,4,2-dithiazolium salt
Kwok-Fai Wai,Michael P. Sammes J. Chem. Soc. Chem. Commun. 1988 852
6. CXXXIII.—The action of the Grignard reagent on certain organo-sulphur compounds
Harry Hepworth,Henry William Clapham J. Chem. Soc. Trans. 1921 119 1188
7. Acylation. Part XXXIV. The kinetics and mechanism of metal ion-promoted hydrolysis of S-esters, -acids, and -anhydrides in aqueous solution
D. P. N. Satchell,I. I. Secemski J. Chem. Soc. B 1970 1306
8. 1081. The reactivity of organophosphorus compounds. Part VIII. The reactions of chloramine-T with triethyl phosphorothiolate and related compounds
J. I. G. Cadogan,H. N. Moulden J. Chem. Soc. 1961 5524
9. Photochemical transformations. Part XXXII. Photolysis of thiobenzoic acid O-esters. Part III. Photolysis of O-phenethyl thiobenzoates and other thiobenzoates
Derek H. R. Barton,Michael Bolton,Philip D. Magnus,Keshav G. Marathe,Gerald A. Poulton,Peter J. West J. Chem. Soc. Perkin Trans. 1 1973 1574
10. The kinetics and mechanism of the thallium ion-promoted hydrolysis of thiol esters
Geeta Patel,Rosemary S. Satchell J. Chem. Soc. Perkin Trans. 2 1980 1403