[ethylsulfanyl(fluoro)methyl]sulfanylethane

C5H11FS2 — CID 139914135

IUPAC[ethylsulfanyl(fluoro)methyl]sulfanylethane
SMILESCCSC(F)SCC
InChIInChI=1S/C5H11FS2/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3
InChIKeyJTYIGGDLMFYKCS-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.75
Rot. Bonds4

About [ethylsulfanyl(fluoro)methyl]sulfanylethane

[ethylsulfanyl(fluoro)methyl]sulfanylethane (PubChem CID 139914135) has the molecular formula C5H11FS2 and a molecular weight of 154.28 g/mol. Its IUPAC name is [ethylsulfanyl(fluoro)methyl]sulfanylethane.

Molecular Properties

Compound Name[ethylsulfanyl(fluoro)methyl]sulfanylethane
PubChem CID139914135
Molecular FormulaC5H11FS2
Molecular Weight154.28 g/mol
Exact Mass154.03
IUPAC Name[ethylsulfanyl(fluoro)methyl]sulfanylethane
SMILESCCSC(F)SCC
InChIInChI=1S/C5H11FS2/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3
InChIKeyJTYIGGDLMFYKCS-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [ethylsulfanyl(fluoro)methyl]sulfanylethane with MolForge

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

Launch Full Analysis

Related Compounds

bis(ethylsulfanyl)methanol
CID 175288915
2-ethylsulfanylbutane
CID 521270
1-ethylsulfanylpropane-1,2-diol
CID 87617073
1,4-bis(ethylsulfanyl)butane-1,4-diol
CID 88730101
2-ethylsulfanyl-1-methylsulfanylpropane
CID 86127985
3-fluoro-2-methylpentane
CID 23234145
N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine
CID 174507870
bis(1-fluoropentyl)phosphane
CID 173167812
1-ethylsulfanyl-2,3-difluoropropane
CID 59155139
ethanol;fluoroform
CID 174919581
disulfanylethane;propane
CID 158572764
ethylsulfanylphosphane;hydrobromide
CID 174866217

Frequently Asked Questions

What is the IUPAC name of [ethylsulfanyl(fluoro)methyl]sulfanylethane?
The IUPAC name of [ethylsulfanyl(fluoro)methyl]sulfanylethane (CID 139914135) is [ethylsulfanyl(fluoro)methyl]sulfanylethane.
What is the SMILES notation for [ethylsulfanyl(fluoro)methyl]sulfanylethane?
The canonical SMILES for [ethylsulfanyl(fluoro)methyl]sulfanylethane is CCSC(F)SCC.
What is the InChIKey of [ethylsulfanyl(fluoro)methyl]sulfanylethane?
The InChIKey is JTYIGGDLMFYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS2/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3.
What are the key properties of [ethylsulfanyl(fluoro)methyl]sulfanylethane?
[ethylsulfanyl(fluoro)methyl]sulfanylethane has a molecular weight of 154.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylsulfanyl(fluoro)methyl]sulfanylethane is sourced from PubChem (CID 139914135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).