6-Amino-1-ethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one - CAS 15468-21-0
Catalog: |
BB049106 |
Product Name: |
6-Amino-1-ethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
CAS: |
15468-21-0 |
Synonyms: |
6-amino-1-ethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one; 6-amino-1-ethyl-2-thioxo-1,3-dihydropyrimidin-4-one; 4(1H)-pyrimidinone, 6-amino-1-ethyl-2,3-dihydro-2-thioxo-; 6-Amino-1-ethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone |
IUPAC Name: | 6-amino-1-ethyl-2-sulfanylidenepyrimidin-4-one |
Description: | 6-Amino-1-ethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS# 15468-21-0 ) is a useful research chemical. |
Molecular Weight: | 171.22 |
Molecular Formula: | C6H9N3OS |
Canonical SMILES: | CCN1C(=CC(=O)NC1=S)N |
InChI: | InChI=1S/C6H9N3OS/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11) |
InChI Key: | RGNSLWRZHTXPAB-UHFFFAOYSA-N |
Melting Point: | 249-250 °C |
Density: | 1.38±0.1 g/cm3 (Predicted) |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.04663309 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.04663309 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 90.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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