Cas no 5633-60-3 (1,3-Benzenediol, 4-(methylthio)-)
5633-60-3 structure
Product Name:1,3-Benzenediol, 4-(methylthio)-
CAS No:5633-60-3
MF:C7H8O2S
MW:156.202220916748
CID:349174
PubChem ID:15004924
Update Time:2025-04-19
1,3-Benzenediol, 4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 4-(methylthio)-
- 4-methylsulfanylbenzene-1,3-diol
- SCHEMBL9006588
- DTXSID00566833
- 4-(Methylsulfanyl)benzene-1,3-diol
- 5633-60-3
-
- Inchi： 1S/C7H8O2S/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3
- InChI Key： VRJUCLNAXCXIHS-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(=CC=1O)O
Computed Properties
- Exact Mass: 156.02454
- Monoisotopic Mass: 156.02450067g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- 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: 1.7
- Topological Polar Surface Area: 65.8?2
Experimental Properties
- PSA: 40.46
1,3-Benzenediol, 4-(methylthio)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
5633-60-3 (1,3-Benzenediol, 4-(methylthio)-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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