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

C8H5IN2O2S2 — CID 56662169

IUPAC2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(I)sc12
InChIInChI=1S/C8H5IN2O2S2/c9-5-1-4-7(15-5)8(11-3-10-4)14-2-6(12)13/h1,3H,2H2,(H,12,13)
InChIKeyFZIZGOLIBCRLJL-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.47
Rot. Bonds3

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

2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 56662169) has the molecular formula C8H5IN2O2S2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID56662169
Molecular FormulaC8H5IN2O2S2
Molecular Weight352.18 g/mol
Exact Mass351.88
IUPAC Name2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(I)sc12
InChIInChI=1S/C8H5IN2O2S2/c9-5-1-4-7(15-5)8(11-3-10-4)14-2-6(12)13/h1,3H,2H2,(H,12,13)
InChIKeyFZIZGOLIBCRLJL-UHFFFAOYSA-N
XLogP2.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid (CID 56662169) is 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid is O=C(O)CSc1ncnc2cc(I)sc12.
What is the InChIKey of 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is FZIZGOLIBCRLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2S2/c9-5-1-4-7(15-5)8(11-3-10-4)14-2-6(12)13/h1,3H,2H2,(H,12,13).
What are the key properties of 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 352.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 56662169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).