Cas no 26001-41-2 (Inosine,1-methyl-6-thio- (9CI))
26001-41-2 structure
Product Name:Inosine,1-methyl-6-thio- (9CI)
CAS No:26001-41-2
MF:C11H14N4O4S
MW:298.318260669708
CID:286792
PubChem ID:260470
Update Time:2025-04-19
Inosine,1-methyl-6-thio- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Inosine,1-methyl-6-thio- (9CI)
- 1-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid methylamide
- 1-Methyl-6-pyridon-2-carbonsaeuremethylamid
- 1-Methyl-6-pyridon-2-carbonsaeuremonomethylamid
- 1-Methyl-6-thioinosin
- 1-methyl-6-thio-inosine
- 2-Pyridinecarboxamide, 1,6-dihydro-N,1-dimethyl-6-oxo-
- CTK2E3637
- NSC91773
- 1-methyl-9-pentofuranosyl-1,9-dihydro-6h-purine-6-thione
- SMR001561003
- HMS3087A13
- 26001-41-2
- DTXSID90948907
- NCIOpen2_005638
- MLS002695091
- NSC-91773
-
- Inchi: 1S/C11H14N4O4S/c1-14-3-13-9-6(11(14)20)12-4-15(9)10-8(18)7(17)5(2-16)19-10/h3-5,7-8,10,16-18H,2H2,1H3
- InChI Key: KAFKQYRSRIAGNP-UHFFFAOYSA-N
- SMILES: S=C1C2=C(N=CN1C)N(C=N2)C1C(C(C(CO)O1)O)O
Computed Properties
- Exact Mass: 298.07400
- Monoisotopic Mass: 298.07357611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 437
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 135?2
Experimental Properties
- PSA: 137.65000
- LogP: -0.88920
Inosine,1-methyl-6-thio- (9CI) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
26001-41-2 (Inosine,1-methyl-6-thio- (9CI)) Related Products
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