Cas no 91184-09-7 (8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one)
91184-09-7 structure
Product Name:8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one
CAS No:91184-09-7
MF:C6H6N4OS
MW:182.203038692474
CID:996067
PubChem ID:3614424
Update Time:2025-04-20
8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,9-Tetrahydro-8-methyl-2-thioxo-6H-purin-6-one
- 8-methyl-2-sulfanylidene-3,7-dihydropurin-6-one
- 8-Methyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
- 2-thio-6-oxy-8-methylpurine
- NSC45768
- NSC-45768
- DTXSID90394288
- NSC-22738
- 8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one
- NSC22738
- SCHEMBL5437223
- 91184-09-7
- DB-300915
-
- Inchi： 1S/C6H6N4OS/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
- InChI Key： ICGMMQGRQXARHG-UHFFFAOYSA-N
- SMILES： S=C1NC(C2=C(N=C(C)N2)N1)=O
Computed Properties
- Exact Mass: 182.026
- Monoisotopic Mass: 182.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 244
- 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: 0.3
- Topological Polar Surface Area: 102?2
Experimental Properties
- Density: 1.89
- Refractive Index: 1.918
8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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