Cas no 51793-51-2 (2H-Cyclopentapyrimidine-2-thione,octahydro-)
51793-51-2 structure
Product Name:2H-Cyclopentapyrimidine-2-thione,octahydro-
CAS No:51793-51-2
MF:C7H12N2S
MW:156.248579978943
CID:376932
PubChem ID:3034715
Update Time:2025-04-19
2H-Cyclopentapyrimidine-2-thione,octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Cyclopentapyrimidine-2-thione,octahydro-
- 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-2-thione
- octahydro-2H-cyclopentapyrimidine-2-thione
- Hexahydro-4,5-trimethylenepyrimidine-2-thione
- octahydro-2H-cyclopenta[d]pyrimidine-2-thione
- Octahydrocyclopentapyrimidine-2-thione
- 51793-51-2
- DTXSID40966116
- EINECS 257-424-6
- 2H-Cyclopentapyrimidine-2-thione, octahydro-
- NS00057754
- SCHEMBL9082577
- 4,4a,5,6,7,7a-Hexahydro-1H-cyclopenta[d]pyrimidine-2-thiol
-
- Inchi： 1S/C7H12N2S/c10-7-8-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
- InChI Key： LTPWXPXNKXNETK-UHFFFAOYSA-N
- SMILES： S=C1NCC2CCCC2N1
Computed Properties
- Exact Mass: 156.07226
- Monoisotopic Mass: 156.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.9
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
2H-Cyclopentapyrimidine-2-thione,octahydro- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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