4756-05-2 (硫丙酮,2-Propanethione(7CI,8CI,9CI))

快速询单

结构式：

硫丙酮MOL文件

CAS号：

4756-05-2

中文名称：

硫丙酮

英文名称：

2-Propanethione(7CI,8CI,9CI)

分子式：

C₃H₆S

分子量：

74.1447396278381

硫丙酮(4756-05-2)名称与标识符

名称

中文别名：

硫丙酮;

英文别名：

2-Propanethione(7CI,8CI,9CI);thioacetone;2-propanethione;Propane-2-thione;InChI=1/C3H6S/c1-3(2)4/h1-2H;Propanethione;CHEBI:36580;4756-05-2;(CH3)2CS;Q21099570;

标识符

InChIKey：

JTNXQVCPQMQLHK-UHFFFAOYSA-N

Inchi：

1S/C3H6S/c1-3(2)4/h1-2H3

SMILES：

S=C(C)C

硫丙酮(4756-05-2)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 74.01908
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 74.01902136g/mol
重原子数量 : 4
复杂度 : 26.3
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） : 0.5
拓扑分子极性表面积 : 32.1Å²

硫丙酮(4756-05-2)相关文献

1. 1,3-Bis-(4-methyl-5-phenyl-1,2-dithiol-3-ylidene)propane-2-thione, a five-sulphur compound related to 1,6,6aλ4-trithiapentalenes
Erik G. Frandsen J. Chem. Soc. Chem. Commun. 1977 851
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4. The gas-phase basicity and H/D exchange characteristics of the parent thiocarbonyl enolate anions
Lijian Zhang,Joseph J. Grabowski J. Chem. Soc. Chem. Commun. 1989 1819
5. Thermal and photochemical cycloaddition reactions of thiocarbonyls: a qualitative molecular orbital analysis
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7. Understanding the molecular mechanism in a regiospecific [3 + 2] cycloaddition reaction including C–O and C–S interactions: an ELF topological analysis
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8. Sulphines. Part IV. Reactions of aromatic sulphines with diazoalkanes
B. F. Bonini,G. Maccagnani,A. Wagenaar,L. Thijs,B. Zwanenburg J. Chem. Soc. Perkin Trans. 1 1972 2490
9. Synthetic approaches towards the novel 1,3-dioxo-1,2-dithiolane moiety in the antitumour antibiotic substance leinamycin
Gerald Pattenden,Anthony J. Shuker J. Chem. Soc. Perkin Trans. 1 1992 1215
10. Effect of hydrogen bonding on the methyl conformation of thioacetamide: an ab initio study
Fabio Ramondo,Luigi Bencivenni J. Chem. Soc. Perkin Trans. 2 1994 1985