2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid

C8H6N2O2S2 — CID 43236106

IUPAC2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
SMILESO=C(O)CSc1ncnc2ccsc12
InChIInChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-7-5(1-2-13-7)9-4-10-8/h1-2,4H,3H2,(H,11,12)
InChIKeyBQELBTBROZBGNK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.87
Rot. Bonds3

About 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid

2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid (PubChem CID 43236106) has the molecular formula C8H6N2O2S2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
PubChem CID43236106
Molecular FormulaC8H6N2O2S2
Molecular Weight226.28 g/mol
Exact Mass225.99
IUPAC Name2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
SMILESO=C(O)CSc1ncnc2ccsc12
InChIInChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-7-5(1-2-13-7)9-4-10-8/h1-2,4H,3H2,(H,11,12)
InChIKeyBQELBTBROZBGNK-UHFFFAOYSA-N
XLogP1.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid (CID 43236106) is 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid is O=C(O)CSc1ncnc2ccsc12.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid?
The InChIKey is BQELBTBROZBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-7-5(1-2-13-7)9-4-10-8/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid?
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid has a molecular weight of 226.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid is sourced from PubChem (CID 43236106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).