5-Ethyl-2-thiouracil - CAS 34171-37-4
Catalog: |
BB021990 |
Product Name: |
5-Ethyl-2-thiouracil |
CAS: |
34171-37-4 |
Synonyms: |
5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one; 5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one |
IUPAC Name: | 5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one |
Description: | 5-Ethyl-2-thiouracil (CAS# 34171-37-4) is a modified nucleobase and a versatile reactant used in the synthesis. It was used as a reactant in the inhibition of Hepatitis B virus (HBV) replication. |
Molecular Weight: | 156.21 |
Molecular Formula: | C6H8N2OS |
Canonical SMILES: | CCC1=CNC(=S)NC1=O |
InChI: | InChI=1S/C6H8N2OS/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10) |
InChI Key: | JYBWJPAOAQCXAX-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD00079592 |
LogP: | 0.99490 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03573406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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