4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine

C12H7FN2S2 — CID 4814433

IUPAC4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
SMILESFc1ccc(Sc2ncnc3sccc23)cc1
InChIInChI=1S/C12H7FN2S2/c13-8-1-3-9(4-2-8)17-12-10-5-6-16-11(10)14-7-15-12/h1-7H
InChIKeyROJYZIZXGHQBOT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.98
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine

4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 4814433) has the molecular formula C12H7FN2S2 and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID4814433
Molecular FormulaC12H7FN2S2
Molecular Weight262.33 g/mol
Exact Mass262.00
IUPAC Name4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
SMILESFc1ccc(Sc2ncnc3sccc23)cc1
InChIInChI=1S/C12H7FN2S2/c13-8-1-3-9(4-2-8)17-12-10-5-6-16-11(10)14-7-15-12/h1-7H
InChIKeyROJYZIZXGHQBOT-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine (CID 4814433) is 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine is Fc1ccc(Sc2ncnc3sccc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is ROJYZIZXGHQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2S2/c13-8-1-3-9(4-2-8)17-12-10-5-6-16-11(10)14-7-15-12/h1-7H.
What are the key properties of 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine?
4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 262.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 4814433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).