2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C13H12N2OS2 — CID 756732

IUPAC2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1-c1ccccc1)SCC2
InChIInChI=1S/C13H12N2OS2/c1-17-13-14-10-7-8-18-11(10)12(16)15(13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyJUDCTBGNJCDADR-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.60
Rot. Bonds2

About 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 756732) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID756732
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1-c1ccccc1)SCC2
InChIInChI=1S/C13H12N2OS2/c1-17-13-14-10-7-8-18-11(10)12(16)15(13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyJUDCTBGNJCDADR-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 756732) is 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CSc1nc2c(c(=O)n1-c1ccccc1)SCC2.
What is the InChIKey of 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is JUDCTBGNJCDADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-17-13-14-10-7-8-18-11(10)12(16)15(13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 276.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 756732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).