4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine

C13H10N2OS2 — CID 9109087

IUPAC4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
SMILESCSc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2OS2/c1-17-10-4-2-9(3-5-10)16-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3
InChIKeySPNNNVLIBOJAMP-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.21
Rot. Bonds3

About 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine

4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 9109087) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID9109087
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
SMILESCSc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2OS2/c1-17-10-4-2-9(3-5-10)16-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3
InChIKeySPNNNVLIBOJAMP-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine (CID 9109087) is 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine is CSc1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is SPNNNVLIBOJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-17-10-4-2-9(3-5-10)16-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3.
What are the key properties of 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 274.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9109087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).