4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine

C13H10FN3O3S2 — CID 89033500

IUPAC4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCS(=O)C1Cc2ncnc(Oc3ccc(N=O)cc3F)c2S1
InChIInChI=1S/C13H10FN3O3S2/c1-22(19)11-5-9-12(21-11)13(16-6-15-9)20-10-3-2-7(17-18)4-8(10)14/h2-4,6,11H,5H2,1H3
InChIKeyULIYLZJEXSPSBC-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.16
Rot. Bonds4

About 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine

4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 89033500) has the molecular formula C13H10FN3O3S2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID89033500
Molecular FormulaC13H10FN3O3S2
Molecular Weight339.37 g/mol
Exact Mass339.01
IUPAC Name4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCS(=O)C1Cc2ncnc(Oc3ccc(N=O)cc3F)c2S1
InChIInChI=1S/C13H10FN3O3S2/c1-22(19)11-5-9-12(21-11)13(16-6-15-9)20-10-3-2-7(17-18)4-8(10)14/h2-4,6,11H,5H2,1H3
InChIKeyULIYLZJEXSPSBC-UHFFFAOYSA-N
XLogP3.16
TPSA81.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine (CID 89033500) is 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine is CS(=O)C1Cc2ncnc(Oc3ccc(N=O)cc3F)c2S1.
What is the InChIKey of 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is ULIYLZJEXSPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S2/c1-22(19)11-5-9-12(21-11)13(16-6-15-9)20-10-3-2-7(17-18)4-8(10)14/h2-4,6,11H,5H2,1H3.
What are the key properties of 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine?
4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrosophenoxy)-6-methylsulfinyl-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 89033500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).