2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine

C13H10N2OS2 — CID 1484663

IUPAC2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine
SMILESCSc1nc(Oc2ccccc2)c2sccc2n1
InChIInChI=1S/C13H10N2OS2/c1-17-13-14-10-7-8-18-11(10)12(15-13)16-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRAGBNTYTCJRHHG-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.21
Rot. Bonds3

About 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine

2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine (PubChem CID 1484663) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine
PubChem CID1484663
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine
SMILESCSc1nc(Oc2ccccc2)c2sccc2n1
InChIInChI=1S/C13H10N2OS2/c1-17-13-14-10-7-8-18-11(10)12(15-13)16-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRAGBNTYTCJRHHG-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 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine (CID 1484663) is 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine is CSc1nc(Oc2ccccc2)c2sccc2n1.
What is the InChIKey of 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine?
The InChIKey is RAGBNTYTCJRHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-17-13-14-10-7-8-18-11(10)12(15-13)16-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine?
2-methylsulfanyl-4-phenoxythieno[3,2-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 2-methylsulfanyl-4-phenoxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 1484663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).