4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine

C13H9ClN2OS2 — CID 1484661

IUPAC4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine
SMILESCSc1nc(Oc2ccc(Cl)cc2)c2sccc2n1
InChIInChI=1S/C13H9ClN2OS2/c1-18-13-15-10-6-7-19-11(10)12(16-13)17-9-4-2-8(14)3-5-9/h2-7H,1H3
InChIKeyXGPQMRNTZNGMQV-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.86
Rot. Bonds3

About 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine

4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine (PubChem CID 1484661) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine
PubChem CID1484661
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine
SMILESCSc1nc(Oc2ccc(Cl)cc2)c2sccc2n1
InChIInChI=1S/C13H9ClN2OS2/c1-18-13-15-10-6-7-19-11(10)12(16-13)17-9-4-2-8(14)3-5-9/h2-7H,1H3
InChIKeyXGPQMRNTZNGMQV-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine (CID 1484661) is 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine is CSc1nc(Oc2ccc(Cl)cc2)c2sccc2n1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
The InChIKey is XGPQMRNTZNGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c1-18-13-15-10-6-7-19-11(10)12(16-13)17-9-4-2-8(14)3-5-9/h2-7H,1H3.
What are the key properties of 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine?
4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine has a molecular weight of 308.82 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-methylsulfanylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 1484661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).