4-(3-fluorophenyl)thian-4-ol

C11H13FOS — CID 83689162

IUPAC4-(3-fluorophenyl)thian-4-ol
SMILESOC1(c2cccc(F)c2)CCSCC1
InChIInChI=1S/C11H13FOS/c12-10-3-1-2-9(8-10)11(13)4-6-14-7-5-11/h1-3,8,13H,4-7H2
InChIKeyXXUAXEJPAIZBNA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.54
Rot. Bonds1

About 4-(3-fluorophenyl)thian-4-ol

4-(3-fluorophenyl)thian-4-ol (PubChem CID 83689162) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(3-fluorophenyl)thian-4-ol.

Molecular Properties

Compound Name4-(3-fluorophenyl)thian-4-ol
PubChem CID83689162
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name4-(3-fluorophenyl)thian-4-ol
SMILESOC1(c2cccc(F)c2)CCSCC1
InChIInChI=1S/C11H13FOS/c12-10-3-1-2-9(8-10)11(13)4-6-14-7-5-11/h1-3,8,13H,4-7H2
InChIKeyXXUAXEJPAIZBNA-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)thian-4-ol?
The IUPAC name of 4-(3-fluorophenyl)thian-4-ol (CID 83689162) is 4-(3-fluorophenyl)thian-4-ol.
What is the SMILES notation for 4-(3-fluorophenyl)thian-4-ol?
The canonical SMILES for 4-(3-fluorophenyl)thian-4-ol is OC1(c2cccc(F)c2)CCSCC1.
What is the InChIKey of 4-(3-fluorophenyl)thian-4-ol?
The InChIKey is XXUAXEJPAIZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c12-10-3-1-2-9(8-10)11(13)4-6-14-7-5-11/h1-3,8,13H,4-7H2.
What are the key properties of 4-(3-fluorophenyl)thian-4-ol?
4-(3-fluorophenyl)thian-4-ol has a molecular weight of 212.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)thian-4-ol is sourced from PubChem (CID 83689162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).