4-fluorobut-3-ene-1-thiol

C4H7FS — CID 57046145

IUPAC4-fluorobut-3-ene-1-thiol
SMILESFC=CCCS
InChIInChI=1S/C4H7FS/c5-3-1-2-4-6/h1,3,6H,2,4H2
InChIKeyQUALDFQCNFLGJQ-UHFFFAOYSA-N
MW106.16 g/mol
LogP1.79
Rot. Bonds2

About 4-fluorobut-3-ene-1-thiol

4-fluorobut-3-ene-1-thiol (PubChem CID 57046145) has the molecular formula C4H7FS and a molecular weight of 106.16 g/mol. Its IUPAC name is 4-fluorobut-3-ene-1-thiol.

Molecular Properties

Compound Name4-fluorobut-3-ene-1-thiol
PubChem CID57046145
Molecular FormulaC4H7FS
Molecular Weight106.16 g/mol
Exact Mass106.03
IUPAC Name4-fluorobut-3-ene-1-thiol
SMILESFC=CCCS
InChIInChI=1S/C4H7FS/c5-3-1-2-4-6/h1,3,6H,2,4H2
InChIKeyQUALDFQCNFLGJQ-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluorobut-3-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-3-ene-1-thiol?
The IUPAC name of 4-fluorobut-3-ene-1-thiol (CID 57046145) is 4-fluorobut-3-ene-1-thiol.
What is the SMILES notation for 4-fluorobut-3-ene-1-thiol?
The canonical SMILES for 4-fluorobut-3-ene-1-thiol is FC=CCCS.
What is the InChIKey of 4-fluorobut-3-ene-1-thiol?
The InChIKey is QUALDFQCNFLGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FS/c5-3-1-2-4-6/h1,3,6H,2,4H2.
What are the key properties of 4-fluorobut-3-ene-1-thiol?
4-fluorobut-3-ene-1-thiol has a molecular weight of 106.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-3-ene-1-thiol is sourced from PubChem (CID 57046145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).