3-Ethyl-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one - CAS 937598-12-4
Catalog: |
BB048921 |
Product Name: |
3-Ethyl-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one |
CAS: |
937598-12-4 |
Synonyms: |
3-ethyl-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one; 3-ethyl-6-methyl-2-sulfanyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one; 3-Ethyl-2,3-dihydro-6-methyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one; 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one; 3-ethyl-6-methyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one |
IUPAC Name: | 3-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
Description: | 3-Ethyl-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one (CAS# 937598-12-4 ) is a useful research chemical. |
Molecular Weight: | 226.32 |
Molecular Formula: | C9H10N2OS2 |
Canonical SMILES: | CCN1C(=O)C2=C(NC1=S)SC(=C2)C |
InChI: | InChI=1S/C9H10N2OS2/c1-3-11-8(12)6-4-5(2)14-7(6)10-9(11)13/h4H,3H2,1-2H3,(H,10,13) |
InChI Key: | GEBAIIFLBDDNRD-UHFFFAOYSA-N |
Boiling Point: | 373.2±44.0 ℃ (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.42±0.1 g/cm3 (Predicted) |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.02345529 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.02345529 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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