Cas no 6974-88-5 (9H-Purine,6-(cyclopentylthio)-)
6974-88-5 structure
Product Name:9H-Purine,6-(cyclopentylthio)-
CAS No:6974-88-5
MF:C10H12N4S
MW:220.294079780579
CID:515512
PubChem ID:95175
Update Time:2025-04-19
9H-Purine,6-(cyclopentylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,6-(cyclopentylthio)-
- 6-cyclopentylsulfanyl-7H-purine
- 6-(Cyclopentylsulfanyl)-7H-purine
- 7H-Purine, 6- (cyclopentylthio)-
- NSC22024
- 6-(CYCLOPENTYLTHIO)-9H-PURINE
- 9H-PURINE, 6-(CYCLOPENTYLTHIO)-
- NSC 22024
- 6974-88-5
- AI3-50252
- 1H-Purine, 6-(cyclopentylthio)-
- U5YWB2DP2A
- UNII-U5YWB2DP2A
- DTXSID30220037
- 7H-Purine, 6-(cyclopentylthio)-
- NSC-22024
- 6-(Cyclopentylthio)purine
- PURINE, 6-(CYCLOPENTYLTHIO)-
- 6-(Cyclopentylthio)-7H-purine
-
- Inchi： 1S/C10H12N4S/c1-2-4-7(3-1)15-10-8-9(12-5-11-8)13-6-14-10/h5-7H,1-4H2,(H,11,12,13,14)
- InChI Key： BHOCVNZZUJWSOU-UHFFFAOYSA-N
- SMILES： S(C1=C2C(=NC=N1)N=CN2)C1CCCC1
Computed Properties
- Exact Mass: 220.07846
- Monoisotopic Mass: 220.07826757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 2.4
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 54.46
9H-Purine,6-(cyclopentylthio)- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
6974-88-5 (9H-Purine,6-(cyclopentylthio)-) Related Products
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