2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

C10H10N2O2S2 — CID 716402

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1sc2ncnc(SCC(=O)O)c2c1C
InChIInChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyVSOXJMQZOPRPGI-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.48
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 716402) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID716402
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1sc2ncnc(SCC(=O)O)c2c1C
InChIInChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyVSOXJMQZOPRPGI-UHFFFAOYSA-N
XLogP2.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 716402) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is Cc1sc2ncnc(SCC(=O)O)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is VSOXJMQZOPRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 254.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 716402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).