Cas no 15385-67-8 (6H-Purine-6-thione,2-amino-1,9-dihydro-8-phenyl-)
15385-67-8 structure
Product Name:6H-Purine-6-thione,2-amino-1,9-dihydro-8-phenyl-
CAS No:15385-67-8
MF:C11H9N5S
MW:243.287659406662
CID:232287
PubChem ID:3991171
Update Time:2025-04-19
6H-Purine-6-thione,2-amino-1,9-dihydro-8-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,2-amino-1,9-dihydro-8-phenyl-
- 2-amino-8-phenyl-3,7-dihydropurine-6-thione
- 2-amino-8-phenyl-1,7(9)-dihydro-purine-6-thione
- 2-amino-8-phenyl-3,7-dihydro-6H-purine-6-thione
- 6-Mercapto-2-amino-8-phenyl-purin
- AC1N238E
- NSC255972
- DTXSID40398418
- 15385-67-8
- NSC-255972
-
- Inchi： 1S/C11H9N5S/c12-11-15-9-7(10(17)16-11)13-8(14-9)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17)
- InChI Key： VZCKQGRLSTVLJN-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC(N)=N1)N=C(C1C=CC=CC=1)N2
Computed Properties
- Exact Mass: 243.05807
- Monoisotopic Mass: 243.05786648g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 350
- 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: 1.2
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 75.13
- LogP: 2.84590
6H-Purine-6-thione,2-amino-1,9-dihydro-8-phenyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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