3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one

C10H8N2O2S2 — CID 2998443

IUPAC3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1ncnc2sccc12
InChIInChI=1S/C10H8N2O2S2/c13-10-7(1-3-14-10)16-9-6-2-4-15-8(6)11-5-12-9/h2,4-5,7H,1,3H2
InChIKeyJBQLPVATSPZCEZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.10
Rot. Bonds2

About 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one

3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one (PubChem CID 2998443) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one.

Molecular Properties

Compound Name3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one
PubChem CID2998443
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1ncnc2sccc12
InChIInChI=1S/C10H8N2O2S2/c13-10-7(1-3-14-10)16-9-6-2-4-15-8(6)11-5-12-9/h2,4-5,7H,1,3H2
InChIKeyJBQLPVATSPZCEZ-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one?
The IUPAC name of 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one (CID 2998443) is 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one.
What is the SMILES notation for 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one?
The canonical SMILES for 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one is O=C1OCCC1Sc1ncnc2sccc12.
What is the InChIKey of 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one?
The InChIKey is JBQLPVATSPZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-10-7(1-3-14-10)16-9-6-2-4-15-8(6)11-5-12-9/h2,4-5,7H,1,3H2.
What are the key properties of 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one?
3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[2,3-d]pyrimidin-4-ylsulfanyloxolan-2-one is sourced from PubChem (CID 2998443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).