2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol

C8H8N2OS2 — CID 2370051

IUPAC2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
SMILESOCCSc1ncnc2sccc12
InChIInChI=1S/C8H8N2OS2/c11-2-4-13-8-6-1-3-12-7(6)9-5-10-8/h1,3,5,11H,2,4H2
InChIKeyGFHCHKLYOCTOLE-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.78
Rot. Bonds3

About 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol

2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol (PubChem CID 2370051) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
PubChem CID2370051
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
SMILESOCCSc1ncnc2sccc12
InChIInChI=1S/C8H8N2OS2/c11-2-4-13-8-6-1-3-12-7(6)9-5-10-8/h1,3,5,11H,2,4H2
InChIKeyGFHCHKLYOCTOLE-UHFFFAOYSA-N
XLogP1.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol (CID 2370051) is 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol is OCCSc1ncnc2sccc12.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
The InChIKey is GFHCHKLYOCTOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-2-4-13-8-6-1-3-12-7(6)9-5-10-8/h1,3,5,11H,2,4H2.
What are the key properties of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol has a molecular weight of 212.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol is sourced from PubChem (CID 2370051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).