Cas no 1915-58-8 ( )
structure
Product Name:
CAS No:1915-58-8
MF:C15H16N8O2S2
MW:404.469938278198
CID:907812
PubChem ID:96985
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one]
- 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
- 1,3,1',3'-tetramethyl-2,2'-dithioxo-1,2,3,7(9),1',2',3',7'(9')-octahydro-8,8'-methanediyl-bis-purin-6-one
- 8,8'-methanediylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
- 8,8'-Methylene-bis-(2-thiotheophylline)
- 8,8-Methylenebis(2-thiotheophylline)
- 8,8'-METHYLENEBIS(2-THIOTHEOPHYLLINE)
- 8,8'-Methylenebis[2-thiotheophylline]
- AC1Q6KCH
- BRN 1190517
- NSC95911
- 8,8'-Methylenebis[3,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(2H)-one]
- 8,8/'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one]
- 4FSN526LYU
- UNII-4FSN526LYU
- DTXSID60172671
- Theophylline, 8,8'-methylenebis(2-thio-
- NSC-95911
- NSC 95911
- Theophylline,8'-methylenebis[2-thio-
- 1915-58-8
- 8,8'-Methylenebis(2-thio-theophylline
-
-
- Inchi： 1S/C15H16N8O2S2/c1-20-10-8(12(24)22(3)14(20)26)16-6(18-10)5-7-17-9-11(19-7)21(2)15(27)23(4)13(9)25/h5H2,1-4H3,(H,16,18)(H,17,19)
- InChI Key： QIRUGLODEIPRED-UHFFFAOYSA-N
- SMILES： S=C1N(C)C(C2=C(N=C(CC3=NC4=C(C(N(C)C(N4C)=S)=O)N3)N2)N1C)=O
Computed Properties
- Exact Mass: 402.06842
- Monoisotopic Mass: 404.08376413g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 662
- 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: 0.5
- Topological Polar Surface Area: 169?2
Experimental Properties
- PSA: 98.66
Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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