6-Amino-1-(2-methoxyethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one - CAS 436094-96-1
Catalog: |
BB049107 |
Product Name: |
6-Amino-1-(2-methoxyethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
CAS: |
436094-96-1 |
Synonyms: |
6-amino-1-(2-methoxyethyl)-2-thioxo-1,3-dihydropyrimidin-4-one; 6-Amino-1-(2-methoxy-ethyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one; 6-Amino-1-(2-methoxyethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone; 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-1-(2-methoxyethyl)-2-thioxo- |
IUPAC Name: | 6-amino-1-(2-methoxyethyl)-2-sulfanylidenepyrimidin-4-one |
Description: | 6-Amino-1-(2-methoxyethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS# 436094-96-1 ) is a useful research chemical. |
Molecular Weight: | 201.25 |
Molecular Formula: | C7H11N3O2S |
Canonical SMILES: | COCCN1C(=CC(=O)NC1=S)N |
InChI: | InChI=1S/C7H11N3O2S/c1-12-3-2-10-5(8)4-6(11)9-7(10)13/h4H,2-3,8H2,1H3,(H,9,11,13) |
InChI Key: | VOXCAUCNNZPGTD-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.05719778 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.05719778 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 99.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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