Cas no 1126-23-4 (6H-Purine-6-thione,1,9-dihydro-8-methyl-)
1126-23-4 structure
Product Name:6H-Purine-6-thione,1,9-dihydro-8-methyl-
CAS No:1126-23-4
MF:C6H6N4S
MW:166.203638553619
CID:163974
PubChem ID:3260096
Update Time:2025-04-19
6H-Purine-6-thione,1,9-dihydro-8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,1,9-dihydro-8-methyl-
- 1,7-Dihydro-8-methyl-6H-purine-6-thione
- 8-methyl-3,7-dihydropurine-6-thione
- 8-Methyl-6-thiopurine
- 8-Methyl-6-thioxopurine
- 9H-Purine-6-thiol, 8-methyl-
- Purine-6(1H)-thione, 8-methyl-
- VIVHKHHYZLMJQH-UHFFFAOYSA-N
- NSC-22741
- AKOS005064384
- NSC22741
- SCHEMBL3857164
- SCHEMBL12997906
- AKOS005067809
- 6H-Purine-6-thione,7-dihydro-8-methyl-
- DTXSID80390754
- 1126-23-4
- 8-Methyl-1,7-dihydro-6H-purine-6-thione #
- 8-Methyl-9H-purine-6-thiol
- 6H-Purine-6-thione, 1,7-dihydro-8-methyl-
-
- Inchi： 1S/C6H6N4S/c1-3-9-4-5(10-3)7-2-8-6(4)11/h2H,1H3,(H2,7,8,9,10,11)
- InChI Key： VIVHKHHYZLMJQH-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC=N1)N=C(C)N2
Computed Properties
- Exact Mass: 166.03148
- Monoisotopic Mass: 166.03131738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 215
- 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
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: nothing
- Topological Polar Surface Area: 85.2?2
Experimental Properties
- PSA: 49.11
- LogP: 1.32390
6H-Purine-6-thione,1,9-dihydro-8-methyl- Related Literature
-
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
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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