3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

C10H10N2OS2 — CID 62414997

IUPAC3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2[nH]c(=S)n1C1CCC1
InChIInChI=1S/C10H10N2OS2/c13-9-8-7(4-5-15-8)11-10(14)12(9)6-2-1-3-6/h4-6H,1-3H2,(H,11,14)
InChIKeySLAOGTVLBMXBKV-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.85
Rot. Bonds1

About 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 62414997) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
PubChem CID62414997
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2[nH]c(=S)n1C1CCC1
InChIInChI=1S/C10H10N2OS2/c13-9-8-7(4-5-15-8)11-10(14)12(9)6-2-1-3-6/h4-6H,1-3H2,(H,11,14)
InChIKeySLAOGTVLBMXBKV-UHFFFAOYSA-N
XLogP2.85
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.85
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 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (CID 62414997) is 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2[nH]c(=S)n1C1CCC1.
What is the InChIKey of 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SLAOGTVLBMXBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c13-9-8-7(4-5-15-8)11-10(14)12(9)6-2-1-3-6/h4-6H,1-3H2,(H,11,14).
What are the key properties of 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62414997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).