2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

C15H10N2O2S2 — CID 18590972

IUPAC2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1cccs1
InChIInChI=1S/C15H10N2O2S2/c18-14-13-12(10-5-1-2-6-11(10)19-13)16-15(20)17(14)8-9-4-3-7-21-9/h1-7H,8H2,(H,16,20)
InChIKeyGVTNRAQALXTRFZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.92
Rot. Bonds2

About 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 18590972) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID18590972
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC Name2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1cccs1
InChIInChI=1S/C15H10N2O2S2/c18-14-13-12(10-5-1-2-6-11(10)19-13)16-15(20)17(14)8-9-4-3-7-21-9/h1-7H,8H2,(H,16,20)
InChIKeyGVTNRAQALXTRFZ-UHFFFAOYSA-N
XLogP3.92
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 18590972) is 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1cccs1.
What is the InChIKey of 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is GVTNRAQALXTRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c18-14-13-12(10-5-1-2-6-11(10)19-13)16-15(20)17(14)8-9-4-3-7-21-9/h1-7H,8H2,(H,16,20).
What are the key properties of 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 314.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 18590972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).