2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid

C8H8N2O2S2 — CID 83871394

IUPAC2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1nc(=S)[nH]c2c1CSC2
InChIInChI=1S/C8H8N2O2S2/c11-7(12)1-5-4-2-14-3-6(4)10-8(13)9-5/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyGUBNAHZYAPYMOW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.51
Rot. Bonds2

About 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid

2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid (PubChem CID 83871394) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid
PubChem CID83871394
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC Name2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1nc(=S)[nH]c2c1CSC2
InChIInChI=1S/C8H8N2O2S2/c11-7(12)1-5-4-2-14-3-6(4)10-8(13)9-5/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyGUBNAHZYAPYMOW-UHFFFAOYSA-N
XLogP1.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid (CID 83871394) is 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid is O=C(O)Cc1nc(=S)[nH]c2c1CSC2.
What is the InChIKey of 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid?
The InChIKey is GUBNAHZYAPYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c11-7(12)1-5-4-2-14-3-6(4)10-8(13)9-5/h1-3H2,(H,11,12)(H,9,10,13).
What are the key properties of 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid?
2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid has a molecular weight of 228.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylidene-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83871394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).