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MF:
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C7H5NS2
|
|
Bolling_Point:
|
305.0±25.0 °C at 760 mmHg
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|
Exact_Mass:
|
166.986343
|
|
More_Info:
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['1 . Appearance 淡Yellow 单斜针状or 叶片状结晶。有苦味，有不宜人的气味。 ', '2 . Melting point（℃）178~180 ', '3 相对. Density（g/mL,Water =1，25℃）142~152 ', '4 . Flash point（ºC）515~520 ', '5 . Solubility 微Soluble in 热Water ，Soluble in 醇氯仿丙酮四氯化碳等。易Soluble in 醋酸乙酯丙酮，Soluble in Ethanol 丙醇氯仿 Ethyl ether 二硫化碳氨Water 氢氧化钠and 碳酸钠等碱溶液，微Soluble in 苯，Insoluble in Water and 汽油。 ', '6 . Lower limit of explosion（%，V/V，粉尘）21']
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Melting_Point:
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177-181 °C(lit.)
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PSA:
|
79.93000
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Flash_Point:
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138.3±23.2 °C
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Refractive_Index:
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1.784
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Density:
|
1.5±0.1 g/cm3
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|
Molecular_Structure:
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['1 . Molar refractive index 4874 ', '2 . Molar volume 1188 ', '3 . Parachor （902K）3369 ', '4 . Surface tension 645 ', '5 . Polarizability 1932']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 694 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :158 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
FW:
|
167.251
|
|
LogP:
|
2.38
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|
Vapor_Pressure:
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0.0±0.6 mmHg at 25°C
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