7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one

Name: 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₉FN₂OS₂ — CID 135631951

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one

SMILESCSc1nc2c(-c3cccc(F)c3)csc2c(=O)[nH]1

InChIInChI=1S/C13H9FN2OS2/c1-18-13-15-10-9(6-19-11(10)12(17)16-13)7-3-2-4-8(14)5-7/h2-6H,1H3,(H,15,16,17)

InChIKeyOONDVPMKRZQFOH-UHFFFAOYSA-N

MW292.36 g/mol

LogP3.51

Rot. Bonds2

About 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135631951) has the molecular formula C₁₃H₉FN₂OS₂ and a molecular weight of 292.36 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name	7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID	135631951
Molecular Formula	C₁₃H₉FN₂OS₂
Molecular Weight	292.36 g/mol
Exact Mass	292.01
IUPAC Name	7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILES	CSc1nc2c(-c3cccc(F)c3)csc2c(=O)[nH]1
InChI	InChI=1S/C13H9FN2OS2/c1-18-13-15-10-9(6-19-11(10)12(17)16-13)7-3-2-4-8(14)5-7/h2-6H,1H3,(H,15,16,17)
InChIKey	OONDVPMKRZQFOH-UHFFFAOYSA-N
XLogP	3.51
TPSA	45.75 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.36
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135631951) is 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one is CSc1nc2c(-c3cccc(F)c3)csc2c(=O)[nH]1.

What is the InChIKey of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is OONDVPMKRZQFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c1-18-13-15-10-9(6-19-11(10)12(17)16-13)7-3-2-4-8(14)5-7/h2-6H,1H3,(H,15,16,17).

What are the key properties of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 292.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135631951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135631951 — identifiers, structure, computed properties (public domain)

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