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

C10H8N2O2S2 — CID 34244436

IUPAC(3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1ncnc2ccsc12
InChIInChI=1S/C10H8N2O2S2/c13-10-7(1-3-14-10)16-9-8-6(2-4-15-8)11-5-12-9/h2,4-5,7H,1,3H2/t7-/m0/s1
InChIKeySYQHQLUVZPKSEU-ZETCQYMHSA-N
MW252.32 g/mol
LogP2.10
Rot. Bonds2

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

(3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one (PubChem CID 34244436) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one
PubChem CID34244436
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name(3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1ncnc2ccsc12
InChIInChI=1S/C10H8N2O2S2/c13-10-7(1-3-14-10)16-9-8-6(2-4-15-8)11-5-12-9/h2,4-5,7H,1,3H2/t7-/m0/s1
InChIKeySYQHQLUVZPKSEU-ZETCQYMHSA-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 (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one?
The IUPAC name of (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one (CID 34244436) is (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one.
What is the SMILES notation for (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one?
The canonical SMILES for (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one is O=C1OCC[C@@H]1Sc1ncnc2ccsc12.
What is the InChIKey of (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one?
The InChIKey is SYQHQLUVZPKSEU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-10-7(1-3-14-10)16-9-8-6(2-4-15-8)11-5-12-9/h2,4-5,7H,1,3H2/t7-/m0/s1.
What are the key properties of (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one?
(3S)-3-thieno[3,2-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 (3S)-3-thieno[3,2-d]pyrimidin-4-ylsulfanyloxolan-2-one is sourced from PubChem (CID 34244436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).