2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

C8H5N2O2S2- — CID 2095457

IUPAC2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C([O-])CSc1ncnc2sccc12
InChIInChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-5-1-2-13-7(5)9-4-10-8/h1-2,4H,3H2,(H,11,12)/p-1
InChIKeyDXFKYUFRYZVSAN-UHFFFAOYSA-M
MW225.27 g/mol
LogP0.53
Rot. Bonds3

About 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (PubChem CID 2095457) has the molecular formula C8H5N2O2S2- and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
PubChem CID2095457
Molecular FormulaC8H5N2O2S2-
Molecular Weight225.27 g/mol
Exact Mass224.98
IUPAC Name2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
SMILESO=C([O-])CSc1ncnc2sccc12
InChIInChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-5-1-2-13-7(5)9-4-10-8/h1-2,4H,3H2,(H,11,12)/p-1
InChIKeyDXFKYUFRYZVSAN-UHFFFAOYSA-M
XLogP0.53
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate (CID 2095457) is 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is O=C([O-])CSc1ncnc2sccc12.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
The InChIKey is DXFKYUFRYZVSAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-5-1-2-13-7(5)9-4-10-8/h1-2,4H,3H2,(H,11,12)/p-1.
What are the key properties of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate?
2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate has a molecular weight of 225.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate is sourced from PubChem (CID 2095457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).