Cas no 57198-63-7 (1,3-Benzodithiole, 2-(phenylthio)-)
57198-63-7 structure
Product Name:1,3-Benzodithiole, 2-(phenylthio)-
CAS No:57198-63-7
MF:C13H10S3
MW:262.413499355316
CID:346186
PubChem ID:12221044
Update Time:2025-04-19
1,3-Benzodithiole, 2-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodithiole, 2-(phenylthio)-
- 2-phenylsulfanyl-1,3-benzodithiole
- 57198-63-7
- DTXSID70481105
-
- Inchi： 1S/C13H10S3/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9,13H
- InChI Key： UPFDUENAZFWXKT-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2SC1SC1C=CC=CC=1
Computed Properties
- Exact Mass: 261.9946
- Monoisotopic Mass: 261.99446384g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 75.9?2
Experimental Properties
- PSA: 0
1,3-Benzodithiole, 2-(phenylthio)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
57198-63-7 (1,3-Benzodithiole, 2-(phenylthio)-) Related Products
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