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

C11H13FOS — CID 83689164

IUPAC3-(4-fluorophenyl)thian-3-ol
SMILESOC1(c2ccc(F)cc2)CCCSC1
InChIInChI=1S/C11H13FOS/c12-10-4-2-9(3-5-10)11(13)6-1-7-14-8-11/h2-5,13H,1,6-8H2
InChIKeyCZFIZOJJYHAKRT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.54
Rot. Bonds1

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

3-(4-fluorophenyl)thian-3-ol (PubChem CID 83689164) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)thian-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)thian-3-ol
PubChem CID83689164
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name3-(4-fluorophenyl)thian-3-ol
SMILESOC1(c2ccc(F)cc2)CCCSC1
InChIInChI=1S/C11H13FOS/c12-10-4-2-9(3-5-10)11(13)6-1-7-14-8-11/h2-5,13H,1,6-8H2
InChIKeyCZFIZOJJYHAKRT-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 3-(4-fluorophenyl)thian-3-ol?
The IUPAC name of 3-(4-fluorophenyl)thian-3-ol (CID 83689164) is 3-(4-fluorophenyl)thian-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)thian-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)thian-3-ol is OC1(c2ccc(F)cc2)CCCSC1.
What is the InChIKey of 3-(4-fluorophenyl)thian-3-ol?
The InChIKey is CZFIZOJJYHAKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c12-10-4-2-9(3-5-10)11(13)6-1-7-14-8-11/h2-5,13H,1,6-8H2.
What are the key properties of 3-(4-fluorophenyl)thian-3-ol?
3-(4-fluorophenyl)thian-3-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 3-(4-fluorophenyl)thian-3-ol is sourced from PubChem (CID 83689164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).