1-fluoro-2-(methyldisulfanyl)ethane

C3H7FS2 — CID 87156178

IUPAC1-fluoro-2-(methyldisulfanyl)ethane
SMILESCSSCCF
InChIInChI=1S/C3H7FS2/c1-5-6-3-2-4/h2-3H2,1H3
InChIKeyPJMLRJMHDZOMNS-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.97
Rot. Bonds3

About 1-fluoro-2-(methyldisulfanyl)ethane

1-fluoro-2-(methyldisulfanyl)ethane (PubChem CID 87156178) has the molecular formula C3H7FS2 and a molecular weight of 126.22 g/mol. Its IUPAC name is 1-fluoro-2-(methyldisulfanyl)ethane.

Molecular Properties

Compound Name1-fluoro-2-(methyldisulfanyl)ethane
PubChem CID87156178
Molecular FormulaC3H7FS2
Molecular Weight126.22 g/mol
Exact Mass126.00
IUPAC Name1-fluoro-2-(methyldisulfanyl)ethane
SMILESCSSCCF
InChIInChI=1S/C3H7FS2/c1-5-6-3-2-4/h2-3H2,1H3
InChIKeyPJMLRJMHDZOMNS-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-(methyldisulfanyl)ethane 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

Ethyl trifluoromethyl disulfide
CID 595492
Ethanesulfenothioic acid
CID 94671
Trithiapentane
CID 15773585
Ethyl trifluoromethyl trisulfide
CID 533716
1-Fluoroethanethiol
CID 18424679
1-Fluoroethyl thiohypochlorite
CID 21692386
1-(Ethyldisulfanyl)-2-fluoroethane
CID 87154266
1,1,1-Trifluoro-2-(methyldisulfanyl)ethane
CID 87154545
(Fluoromethyldisulfanyl)ethane
CID 87154724
(Difluoromethyldisulfanyl)ethane
CID 87154800
1-(Ethyldisulfanyl)-1-fluoroethane
CID 87154941
1-Fluoro-1-(methyldisulfanyl)ethane
CID 87155528

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(methyldisulfanyl)ethane?
The IUPAC name of 1-fluoro-2-(methyldisulfanyl)ethane (CID 87156178) is 1-fluoro-2-(methyldisulfanyl)ethane.
What is the SMILES notation for 1-fluoro-2-(methyldisulfanyl)ethane?
The canonical SMILES for 1-fluoro-2-(methyldisulfanyl)ethane is CSSCCF.
What is the InChIKey of 1-fluoro-2-(methyldisulfanyl)ethane?
The InChIKey is PJMLRJMHDZOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FS2/c1-5-6-3-2-4/h2-3H2,1H3.
What are the key properties of 1-fluoro-2-(methyldisulfanyl)ethane?
1-fluoro-2-(methyldisulfanyl)ethane has a molecular weight of 126.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(methyldisulfanyl)ethane is sourced from PubChem (CID 87156178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).