2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid

C12H8N2O2S3 — CID 162671235

IUPAC2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(-c3cccs3)sc12
InChIInChI=1S/C12H8N2O2S3/c15-10(16)5-18-12-11-7(13-6-14-12)4-9(19-11)8-2-1-3-17-8/h1-4,6H,5H2,(H,15,16)
InChIKeyAWGWMRKFZPUBMU-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.60
Rot. Bonds4

About 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid

2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 162671235) has the molecular formula C12H8N2O2S3 and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID162671235
Molecular FormulaC12H8N2O2S3
Molecular Weight308.41 g/mol
Exact Mass307.97
IUPAC Name2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(-c3cccs3)sc12
InChIInChI=1S/C12H8N2O2S3/c15-10(16)5-18-12-11-7(13-6-14-12)4-9(19-11)8-2-1-3-17-8/h1-4,6H,5H2,(H,15,16)
InChIKeyAWGWMRKFZPUBMU-UHFFFAOYSA-N
XLogP3.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid (CID 162671235) is 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid is O=C(O)CSc1ncnc2cc(-c3cccs3)sc12.
What is the InChIKey of 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is AWGWMRKFZPUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S3/c15-10(16)5-18-12-11-7(13-6-14-12)4-9(19-11)8-2-1-3-17-8/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 308.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 162671235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).