1-ethylsulfanyl-3-fluoropropane

C5H11FS — CID 59155014

IUPAC1-ethylsulfanyl-3-fluoropropane
SMILESCCSCCCF
InChIInChI=1S/C5H11FS/c1-2-7-5-3-4-6/h2-5H2,1H3
InChIKeyVOGHIJQIQISZDC-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.10
Rot. Bonds4

About 1-ethylsulfanyl-3-fluoropropane

1-ethylsulfanyl-3-fluoropropane (PubChem CID 59155014) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-fluoropropane.

Molecular Properties

Compound Name1-ethylsulfanyl-3-fluoropropane
PubChem CID59155014
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name1-ethylsulfanyl-3-fluoropropane
SMILESCCSCCCF
InChIInChI=1S/C5H11FS/c1-2-7-5-3-4-6/h2-5H2,1H3
InChIKeyVOGHIJQIQISZDC-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethylsulfanyl-3-fluoropropane 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 1-ethylsulfanyl-3-fluoropropane?
The IUPAC name of 1-ethylsulfanyl-3-fluoropropane (CID 59155014) is 1-ethylsulfanyl-3-fluoropropane.
What is the SMILES notation for 1-ethylsulfanyl-3-fluoropropane?
The canonical SMILES for 1-ethylsulfanyl-3-fluoropropane is CCSCCCF.
What is the InChIKey of 1-ethylsulfanyl-3-fluoropropane?
The InChIKey is VOGHIJQIQISZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-2-7-5-3-4-6/h2-5H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-fluoropropane?
1-ethylsulfanyl-3-fluoropropane has a molecular weight of 122.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-fluoropropane is sourced from PubChem (CID 59155014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).