2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C10H12N2OS2 — CID 106481731

IUPAC2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CCOC2)[nH]c2c1CSC2
InChIInChI=1S/C10H12N2OS2/c14-10-7-4-15-5-8(7)11-9(12-10)6-1-2-13-3-6/h6H,1-5H2,(H,11,12,14)
InChIKeyGFFVNAOVVNGCJW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.39
Rot. Bonds1

About 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481731) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481731
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CCOC2)[nH]c2c1CSC2
InChIInChI=1S/C10H12N2OS2/c14-10-7-4-15-5-8(7)11-9(12-10)6-1-2-13-3-6/h6H,1-5H2,(H,11,12,14)
InChIKeyGFFVNAOVVNGCJW-UHFFFAOYSA-N
XLogP2.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481731) is 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(C2CCOC2)[nH]c2c1CSC2.
What is the InChIKey of 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is GFFVNAOVVNGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c14-10-7-4-15-5-8(7)11-9(12-10)6-1-2-13-3-6/h6H,1-5H2,(H,11,12,14).
What are the key properties of 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 240.35 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).