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

C10H10N2O2S2 — CID 762676

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCCc1cc2c(SCC(=O)O)ncnc2s1
InChIInChI=1S/C10H10N2O2S2/c1-2-6-3-7-9(15-4-8(13)14)11-5-12-10(7)16-6/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyCDFHGLJGARKHCF-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.43
Rot. Bonds4

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

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 762676) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID762676
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCCc1cc2c(SCC(=O)O)ncnc2s1
InChIInChI=1S/C10H10N2O2S2/c1-2-6-3-7-9(15-4-8(13)14)11-5-12-10(7)16-6/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyCDFHGLJGARKHCF-UHFFFAOYSA-N
XLogP2.43
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 762676) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is CCc1cc2c(SCC(=O)O)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is CDFHGLJGARKHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-2-6-3-7-9(15-4-8(13)14)11-5-12-10(7)16-6/h3,5H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 254.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 762676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).