3,6-Diethyl-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one - CAS 744242-07-7
Catalog: |
BB048922 |
Product Name: |
3,6-Diethyl-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one |
CAS: |
744242-07-7 |
Synonyms: |
3,6-diethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one; 3,6-diethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one; 3,6-diethyl-2-sulfanyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one; 3,6-Diethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one; Thieno[2,3-d]pyrimidin-4(1H)-one, 3,6-diethyl-2,3-dihydro-2-thioxo- |
IUPAC Name: | 3,6-diethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
Description: | 3,6-Diethyl-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one (CAS# 744242-07-7 ) is a useful research chemical. |
Molecular Weight: | 240.35 |
Molecular Formula: | C10H12N2OS2 |
Canonical SMILES: | CCC1=CC2=C(S1)NC(=S)N(C2=O)CC |
InChI: | InChI=1S/C10H12N2OS2/c1-3-6-5-7-8(15-6)11-10(14)12(4-2)9(7)13/h5H,3-4H2,1-2H3,(H,11,14) |
InChI Key: | WHEDSZGVVOMYDM-UHFFFAOYSA-N |
Boiling Point: | 381.5±44.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.03910536 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.03910536 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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