4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol

C11H13FOS2 — CID 22070989

IUPAC4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol
SMILESFc1ccccc1SCC1COCC1S
InChIInChI=1S/C11H13FOS2/c12-9-3-1-2-4-11(9)15-7-8-5-13-6-10(8)14/h1-4,8,10,14H,5-7H2
InChIKeyGWQRZEFWBCQIJL-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.86
Rot. Bonds3

About 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol

4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol (PubChem CID 22070989) has the molecular formula C11H13FOS2 and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol
PubChem CID22070989
Molecular FormulaC11H13FOS2
Molecular Weight244.36 g/mol
Exact Mass244.04
IUPAC Name4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol
SMILESFc1ccccc1SCC1COCC1S
InChIInChI=1S/C11H13FOS2/c12-9-3-1-2-4-11(9)15-7-8-5-13-6-10(8)14/h1-4,8,10,14H,5-7H2
InChIKeyGWQRZEFWBCQIJL-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol?
The IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol (CID 22070989) is 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol?
The canonical SMILES for 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol is Fc1ccccc1SCC1COCC1S.
What is the InChIKey of 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol?
The InChIKey is GWQRZEFWBCQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS2/c12-9-3-1-2-4-11(9)15-7-8-5-13-6-10(8)14/h1-4,8,10,14H,5-7H2.
What are the key properties of 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol?
4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol has a molecular weight of 244.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfanylmethyl]oxolane-3-thiol is sourced from PubChem (CID 22070989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).