3-[(4-fluorophenyl)sulfinylmethyl]thiophene

C11H9FOS2 — CID 64717751

IUPAC3-[(4-fluorophenyl)sulfinylmethyl]thiophene
SMILESO=S(Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C11H9FOS2/c12-10-1-3-11(4-2-10)15(13)8-9-5-6-14-7-9/h1-7H,8H2
InChIKeyHRSHPEPPGQVRLY-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.19
Rot. Bonds3

About 3-[(4-fluorophenyl)sulfinylmethyl]thiophene

3-[(4-fluorophenyl)sulfinylmethyl]thiophene (PubChem CID 64717751) has the molecular formula C11H9FOS2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfinylmethyl]thiophene.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfinylmethyl]thiophene
PubChem CID64717751
Molecular FormulaC11H9FOS2
Molecular Weight240.32 g/mol
Exact Mass240.01
IUPAC Name3-[(4-fluorophenyl)sulfinylmethyl]thiophene
SMILESO=S(Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C11H9FOS2/c12-10-1-3-11(4-2-10)15(13)8-9-5-6-14-7-9/h1-7H,8H2
InChIKeyHRSHPEPPGQVRLY-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfinylmethyl]thiophene?
The IUPAC name of 3-[(4-fluorophenyl)sulfinylmethyl]thiophene (CID 64717751) is 3-[(4-fluorophenyl)sulfinylmethyl]thiophene.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfinylmethyl]thiophene?
The canonical SMILES for 3-[(4-fluorophenyl)sulfinylmethyl]thiophene is O=S(Cc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfinylmethyl]thiophene?
The InChIKey is HRSHPEPPGQVRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FOS2/c12-10-1-3-11(4-2-10)15(13)8-9-5-6-14-7-9/h1-7H,8H2.
What are the key properties of 3-[(4-fluorophenyl)sulfinylmethyl]thiophene?
3-[(4-fluorophenyl)sulfinylmethyl]thiophene has a molecular weight of 240.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfinylmethyl]thiophene is sourced from PubChem (CID 64717751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).