1-Cyclopentyl-6-hydroxy-2-sulfanyl-1,4-dihydropyrimidin-4-one - CAS 556006-93-0
Catalog: |
BB047459 |
Product Name: |
1-Cyclopentyl-6-hydroxy-2-sulfanyl-1,4-dihydropyrimidin-4-one |
CAS: |
556006-93-0 |
Synonyms: |
1-cyclopentyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one; 3-Cyclopentyl-6-hydroxy-2-sulfanyl-3,4-dihydropyrimidin-4-one |
IUPAC Name: | 1-cyclopentyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one |
Description: | 1-Cyclopentyl-6-hydroxy-2-sulfanyl-1,4-dihydropyrimidin-4-one (CAS# 556006-93-0 ) is a useful research chemical. |
Molecular Weight: | 212.27 |
Molecular Formula: | C9H12N2O2S |
Canonical SMILES: | C1CCC(C1)N2C(=CC(=O)NC2=S)O |
InChI: | InChI=1S/C9H12N2O2S/c12-7-5-8(13)11(9(14)10-7)6-3-1-2-4-6/h5-6,13H,1-4H2,(H,10,12,14) |
InChI Key: | KKHUVYYAKIYTTL-UHFFFAOYSA-N |
Purity: | 95 % |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0619488 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0619488 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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