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3986-98-9 (2H-色烯-2-硫酮,2H-chromene-2-thione)

结构式：

2H-色烯-2-硫酮结构式图片|3986-98-9结构式图片

2H-色烯-2-硫酮MOL文件

CAS号：

3986-98-9

中文名称：

2H-色烯-2-硫酮

英文名称：

2H-chromene-2-thione

分子式：

C₉H₆OS

分子量：

162.208341121674

相关分类：

溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans

2H-色烯-2-硫酮(3986-98-9)名称与标识符

名称

英文别名：

2H-chromene-2-thione;2H-1-benzopyran-2-thione;2H-1-Benzopyran-2-thione (9CI);chromene-2-thione;1-thiocoumarin;2H-chromen-2-thione;2-Thiocoumarin;benzopyran-2-thione;COUMARIN,2-THIO;Coumarin-2-thione;STL348483;DB-234054;BRN 0114084;SCHEMBL93945;COUMARIN, 2-THIO-;PMID30074415-Compound-20;InChI=1/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6;2H-Chromene-2-thione #;3986-98-9;CHEMBL3759409;5-17-10-00148 (Beilstein Handbook Reference);AKOS006372197;DTXSID20192911;

标识符

InChIKey：

FRZDLTCXOSFHJC-UHFFFAOYSA-N

Inchi：

1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H

SMILES：

S=C1C=CC2C=CC=CC=2O1

2H-色烯-2-硫酮(3986-98-9)物化性质

实验特性

LogP : 3.16230
PSA : 45.23000
折射率 : 1.682
沸点 : 250.6°C at 760 mmHg
闪点 : 105.3°C
密度 : 1.29

计算特性

精确分子量 : 162.01400
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 162.014
重原子数量 : 11
复杂度 : 198
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
拓扑分子极性表面积 : 41.3A^2

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2H-色烯-2-硫酮(3986-98-9)相关文献

1. β-Oxodithioesters: a new frontier for diverse heterocyclic architectures
Maya Shankar Singh,Ganesh Chandra Nandi,Tanmoy Chanda RSC Adv. 2013 3 14183
2. A thiocoumarin-based colorimetric and ratiometric fluorescent probe for Hg2+ in aqueous solution and its application in live-cell imaging
Siyao Qin,Bo Chen,Jing Huang,Yifeng Han New J. Chem. 2018 42 12766
3. Pattern recognition of toxic metal ions using a single-probe thiocoumarin array
David G. Smith,Linda Mitchell,Elizabeth J. New Analyst 2019 144 230
4. Fabrication of egg shell-like nanovesicles from a thiocoumarin-based ε-amino ester: a potential carrier
Mintu Debnath,Supriya Sasmal,Debasish Haldar J. Mater. Chem. B 2017 5 5450
5. Hg2+-selective chromogenic and fluorogenic chemodosimeter based on thiocoumarins
Myung Gil Choi,Youn Hwan Kim,Ji Eun Namgoong,Suk-Kyu Chang Hg2+-selective chromogenic and fluorogenic chemodosimeter based on thiocoumarins. Myung Gil Choi Youn Hwan Kim Ji Eun Namgoong Suk-Kyu Chang Chem. Commun. 2009 3560
6. Triplet-state photophysics and transient photochemistry of cyclic enethiones. A laser flash photolysis study
Kankan Bhattacharyya,Paritosh K. Das,Vaidhyanathan Ramamurthy,V. Pushkara Rao J. Chem. Soc. Faraday Trans. 2 1986 82 135
7. Cesium carbonate-catalyzed synthesis of phosphorothioates via S-phosphination of thioketones
Ze-Wei Chen,Annamalai Pratheepkumar,Rekha Bai,Yongyi Hu,Satpal Singh Badsara,Kuo-Wei Huang,Chin-Fa Lee Chem. Commun. 2022 58 11001
8. Reactions of thiocoumarin with phenylmagnesium bromide and with bromine
W. D. Cotterill,C. J. France,R. Livingstone,J. R. Atkinson J. Chem. Soc. Perkin Trans. 1 1972 817
9. Reactivity switch-over of 4-hydroxydithiocoumarins under various conditions and their application in organic synthesis
Md. Belal,Santa Mondal,Sabina Yashmin,Abu Taleb Khan Org. Biomol. Chem. 2022 20 715
10. Mechanism and dynamics of intramolecular triplet state decay of 1-propyl-4-thiouracil and its α-methyl-substituted derivatives studied in perfluoro-1,3-dimethylcyclohexane
Grazyna Wenska,Katarzyna Taras-Go?lińska,Adam ?ukaszewicz,Gotard Burdziński,Jacek Koput,Andrzej Maciejewski Photochem. Photobiol. Sci. 2011 10 1294

目录

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问答

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