2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

C9H8N2O2S2 — CID 83814252

IUPAC2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1csc2ncnc(SCC(=O)O)c12
InChIInChI=1S/C9H8N2O2S2/c1-5-2-14-8-7(5)9(11-4-10-8)15-3-6(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyFBHWQCVNFIEIQA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.18
Rot. Bonds3

About 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 83814252) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID83814252
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1csc2ncnc(SCC(=O)O)c12
InChIInChI=1S/C9H8N2O2S2/c1-5-2-14-8-7(5)9(11-4-10-8)15-3-6(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyFBHWQCVNFIEIQA-UHFFFAOYSA-N
XLogP2.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 83814252) is 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is Cc1csc2ncnc(SCC(=O)O)c12.
What is the InChIKey of 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is FBHWQCVNFIEIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-5-2-14-8-7(5)9(11-4-10-8)15-3-6(12)13/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 240.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 83814252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).