Cas no 113502-34-4 (5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione)
![5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione structure](https://ossimg.kuujia.com/scimg/114000/113502-34-4x500.png)
113502-34-4 structure
Product Name:5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
CAS No:113502-34-4
MF:C7H6S7
MW:314.577532291412
CID:2610966
PubChem ID:13837731
Update Time:2025-04-21
5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione Chemical and Physical Properties
Names and Identifiers
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- 5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
- DTXSID90550867
- 113502-34-4
- 5,6-Bis(methylsulfanyl)-2H-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
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- Inchi： 1S/C7H6S7/c1-9-3-4(10-2)12-6-5(11-3)13-7(8)14-6/h1-2H3
- InChI Key： RTJHIVWMZGAWSI-UHFFFAOYSA-N
- SMILES： S1C(=C(SC)SC2=C1SC(=S)S2)SC
Computed Properties
- Exact Mass: 313.85144841Da
- Monoisotopic Mass: 313.85144841Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 310
- 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: 4.6
- Topological Polar Surface Area: 184?2
5,6-bis(methylsulfanyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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