Cas no 6966-78-5 (Pteridine,4-(methylthio)-)
Pteridine,4-(methylthio)- structure
Product Name:Pteridine,4-(methylthio)-
Pteridine,4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pteridine,4-(methylthio)-
- 4-methylsulfanylpteridine
- 4-Methylmercapto-pteridin
- 4-methylsulfanyl-pteridine
- 4-Methylthio-pteridin
- 4-methylthiopteridine
- 4-methylthio-pteridine
- SCHEMBL5352016
- pteridine, 4-(methylthio)-
- 6966-78-5
- XKENOTHGZDIXRS-UHFFFAOYSA-N
- NSC-68114
- NSC68114
- DTXSID70879068
-
- Inchi： 1S/C7H6N4S/c1-12-7-5-6(10-4-11-7)9-3-2-8-5/h2-4H,1H3
- InChI Key： XKENOTHGZDIXRS-UHFFFAOYSA-N
- SMILES： S(C)C1C2C(=NC=CN=2)N=CN=1
Computed Properties
- Exact Mass: 324.04741
- Monoisotopic Mass: 178.03131738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 0.7
- Topological Polar Surface Area: 76.9?2
Experimental Properties
- Density: 1.3046 (rough estimate)
- Melting Point: 191°C
- Refractive Index: 1.5500 (estimate)
- PSA: 50.69
Pteridine,4-(methylthio)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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