6-Ethyl-2-mercapto-3-propylthieno[2,3-d]pyrimidin-4(3H)-one - CAS 744242-00-0
Catalog: |
BB048923 |
Product Name: |
6-Ethyl-2-mercapto-3-propylthieno[2,3-d]pyrimidin-4(3H)-one |
CAS: |
744242-00-0 |
Synonyms: |
6-ethyl-3-propyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one; 6-ethyl-3-propyl-2-sulfanyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one; 6-ethyl-3-propyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one; 6-Ethyl-3-propyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one; Thieno[2,3-d]pyrimidin-4(1H)-one, 6-ethyl-2,3-dihydro-3-propyl-2-thioxo- |
IUPAC Name: | 6-ethyl-3-propyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
Description: | 6-Ethyl-2-mercapto-3-propylthieno[2,3-d]pyrimidin-4(3H)-one (CAS# 744242-00-0 ) is a useful research chemical. |
Molecular Weight: | 254.37 |
Molecular Formula: | C11H14N2OS2 |
Canonical SMILES: | CCCN1C(=O)C2=C(NC1=S)SC(=C2)CC |
InChI: | InChI=1S/C11H14N2OS2/c1-3-5-13-10(14)8-6-7(4-2)16-9(8)12-11(13)15/h6H,3-5H2,1-2H3,(H,12,15) |
InChI Key: | IRBBKEOKJPLMIF-UHFFFAOYSA-N |
Boiling Point: | 392.9±44.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.05475542 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.05475542 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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