Cas no 58268-45-4 (1,3-Dithiole-4-methanol, 2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-)
![1,3-Dithiole-4-methanol, 2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]- structure](https://ossimg.kuujia.com/scimg/58500/58268-45-4x500.png)
58268-45-4 structure
Product Name:1,3-Dithiole-4-methanol, 2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-
CAS No:58268-45-4
MF:C8H8O2S4
MW:264.407917022705
CID:1609657
PubChem ID:53947824
Update Time:2025-04-21
1,3-Dithiole-4-methanol, 2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dithiole-4-methanol, 2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-
- [2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
- SCHEMBL10527387
- DTXSID60707886
- 58268-45-4
- {2-[4-(Hydroxymethyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
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- Inchi： 1S/C8H8O2S4/c9-1-5-3-11-7(13-5)8-12-4-6(2-10)14-8/h3-4,9-10H,1-2H2
- InChI Key： JCGZALDJUXXQFZ-UHFFFAOYSA-N
- SMILES： S1C(CO)=CSC1=C1SC=C(CO)S1
Computed Properties
- Exact Mass: 263.94084
- Monoisotopic Mass: 263.941
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.8
- Topological Polar Surface Area: 142?2
Experimental Properties
- PSA: 40.46
1,3-Dithiole-4-methanol, 2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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