5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene

C12H7FS3 — CID 164673347

IUPAC5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene
SMILESFc1sc2ccsc2c1Sc1ccccc1
InChIInChI=1S/C12H7FS3/c13-12-11(10-9(16-12)6-7-14-10)15-8-4-2-1-3-5-8/h1-7H
InChIKeyBYOUDZQVCYPDAB-UHFFFAOYSA-N
MW266.39 g/mol
LogP5.25
Rot. Bonds2

About 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene

5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene (PubChem CID 164673347) has the molecular formula C12H7FS3 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene
PubChem CID164673347
Molecular FormulaC12H7FS3
Molecular Weight266.39 g/mol
Exact Mass265.97
IUPAC Name5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene
SMILESFc1sc2ccsc2c1Sc1ccccc1
InChIInChI=1S/C12H7FS3/c13-12-11(10-9(16-12)6-7-14-10)15-8-4-2-1-3-5-8/h1-7H
InChIKeyBYOUDZQVCYPDAB-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene?
The IUPAC name of 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene (CID 164673347) is 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene?
The canonical SMILES for 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene is Fc1sc2ccsc2c1Sc1ccccc1.
What is the InChIKey of 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene?
The InChIKey is BYOUDZQVCYPDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FS3/c13-12-11(10-9(16-12)6-7-14-10)15-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene?
5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene has a molecular weight of 266.39 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenylsulfanylthieno[3,2-b]thiophene is sourced from PubChem (CID 164673347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).