3-(3-methoxypropyl)-5,6-dimethyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one - CAS 749902-04-3
Catalog: |
BB035208 |
Product Name: |
3-(3-methoxypropyl)-5,6-dimethyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one |
CAS: |
749902-04-3 |
Synonyms: |
3-(3-methoxypropyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one; 3-(3-methoxypropyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
IUPAC Name: | 3-(3-methoxypropyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
Description: | 3-(3-methoxypropyl)-5,6-dimethyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS# 749902-04-3 ) is a useful research chemical. |
Molecular Weight: | 284.392 |
Molecular Formula: | C12H16N2O2S2 |
Canonical SMILES: | CC1=C(SC2=C1C(=O)N(C(=S)N2)CCCOC)C |
InChI: | InChI=1S/C12H16N2O2S2/c1-7-8(2)18-10-9(7)11(15)14(12(17)13-10)5-4-6-16-3/h4-6H2,1-3H3,(H,13,17) |
InChI Key: | HBMYCCGGAPVGQR-UHFFFAOYSA-N |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.0653201 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.0653201 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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