Cas no 2382-18-5 (6H-Purine-6-thione,2-amino-1,9-dihydro-9-methyl-)
2382-18-5 structure
Product Name:6H-Purine-6-thione,2-amino-1,9-dihydro-9-methyl-
CAS No:2382-18-5
MF:C6H7N5S
MW:181.218278169632
CID:255114
PubChem ID:3358633
Update Time:2025-04-19
6H-Purine-6-thione,2-amino-1,9-dihydro-9-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,2-amino-1,9-dihydro-9-methyl-
- 2-amino-9-methyl-3H-purine-6-thione
- 2-Amino-6-mercapto-9-methyl-purin
- 2-amino-9-methyl-1,9-dihydro-purine-6-thione
- 2-amino-9-methyl-3,9-dihydro-6H-purine-6-thione
- 9-Methyl-6-thioguanin
- NSC26290
- SCHEMBL17226007
- 2382-18-5
- SCHEMBL3291325
- NSC-26290
- DTXSID80391761
-
- Inchi： 1S/C6H7N5S/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
- InChI Key： VXSWGJDRVXNRKE-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC(N)=N1)N(C)C=N2
Computed Properties
- Exact Mass: 181.04241
- Monoisotopic Mass: 181.04221642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 250
- 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: 100?2
Experimental Properties
- PSA: 68.23
- LogP: 1.18930
6H-Purine-6-thione,2-amino-1,9-dihydro-9-methyl- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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