4-fluoropent-3-ene-2-thiol

C5H9FS — CID 123618861

IUPAC4-fluoropent-3-ene-2-thiol
SMILESCC(F)=CC(C)S
InChIInChI=1S/C5H9FS/c1-4(6)3-5(2)7/h3,5,7H,1-2H3
InChIKeyWJOARMBAJXECDM-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.18
Rot. Bonds1

About 4-fluoropent-3-ene-2-thiol

4-fluoropent-3-ene-2-thiol (PubChem CID 123618861) has the molecular formula C5H9FS and a molecular weight of 120.19 g/mol. Its IUPAC name is 4-fluoropent-3-ene-2-thiol.

Molecular Properties

Compound Name4-fluoropent-3-ene-2-thiol
PubChem CID123618861
Molecular FormulaC5H9FS
Molecular Weight120.19 g/mol
Exact Mass120.04
IUPAC Name4-fluoropent-3-ene-2-thiol
SMILESCC(F)=CC(C)S
InChIInChI=1S/C5H9FS/c1-4(6)3-5(2)7/h3,5,7H,1-2H3
InChIKeyWJOARMBAJXECDM-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoropent-3-ene-2-thiol?
The IUPAC name of 4-fluoropent-3-ene-2-thiol (CID 123618861) is 4-fluoropent-3-ene-2-thiol.
What is the SMILES notation for 4-fluoropent-3-ene-2-thiol?
The canonical SMILES for 4-fluoropent-3-ene-2-thiol is CC(F)=CC(C)S.
What is the InChIKey of 4-fluoropent-3-ene-2-thiol?
The InChIKey is WJOARMBAJXECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS/c1-4(6)3-5(2)7/h3,5,7H,1-2H3.
What are the key properties of 4-fluoropent-3-ene-2-thiol?
4-fluoropent-3-ene-2-thiol has a molecular weight of 120.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropent-3-ene-2-thiol is sourced from PubChem (CID 123618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).