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

C14H12N2OS2 — CID 47117452

IUPAC1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
SMILESOC(CSc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C14H12N2OS2/c17-12(10-4-2-1-3-5-10)8-19-14-11-6-7-18-13(11)15-9-16-14/h1-7,9,12,17H,8H2
InChIKeyWACIJZRCZKMZEV-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.52
Rot. Bonds4

About 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol

1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol (PubChem CID 47117452) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol.

Molecular Properties

Compound Name1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
PubChem CID47117452
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol
SMILESOC(CSc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C14H12N2OS2/c17-12(10-4-2-1-3-5-10)8-19-14-11-6-7-18-13(11)15-9-16-14/h1-7,9,12,17H,8H2
InChIKeyWACIJZRCZKMZEV-UHFFFAOYSA-N
XLogP3.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
The IUPAC name of 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol (CID 47117452) is 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol.
What is the SMILES notation for 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
The canonical SMILES for 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol is OC(CSc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
The InChIKey is WACIJZRCZKMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c17-12(10-4-2-1-3-5-10)8-19-14-11-6-7-18-13(11)15-9-16-14/h1-7,9,12,17H,8H2.
What are the key properties of 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol?
1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol has a molecular weight of 288.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanol is sourced from PubChem (CID 47117452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).