Cas no 54030-37-4 (4(1H)-Pteridinone, 2,3-dihydro-1-methyl-2-thioxo-)
54030-37-4 structure
Product Name:4(1H)-Pteridinone, 2,3-dihydro-1-methyl-2-thioxo-
CAS No:54030-37-4
MF:C7H6N4OS
MW:194.213738918304
CID:355722
PubChem ID:71364892
Update Time:2025-04-19
4(1H)-Pteridinone, 2,3-dihydro-1-methyl-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pteridinone, 2,3-dihydro-1-methyl-2-thioxo-
- 1-methyl-2-sulfanylidenepteridin-4-one
- DTXSID20788338
- 1-Methyl-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
- 54030-37-4
-
- Inchi： 1S/C7H6N4OS/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h2-3H,1H3,(H,10,12,13)
- InChI Key： FPTZEELZZVFVBG-UHFFFAOYSA-N
- SMILES： S=C1NC(C2C(=NC=CN=2)N1C)=O
Computed Properties
- Exact Mass: 194.02638
- Monoisotopic Mass: 194.02623200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 257
- 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: -0.2
- Topological Polar Surface Area: 90.2?2
Experimental Properties
- PSA: 58.12
4(1H)-Pteridinone, 2,3-dihydro-1-methyl-2-thioxo- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
54030-37-4 (4(1H)-Pteridinone, 2,3-dihydro-1-methyl-2-thioxo-) Related Products
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