1-fluoroethanethiol

C2H5FS — CID 18424679

IUPAC1-fluoroethanethiol
SMILESCC(F)S
InChIInChI=1S/C2H5FS/c1-2(3)4/h2,4H,1H3
InChIKeyCFFBQPDXQRCJQV-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.23
Rot. Bonds

About 1-fluoroethanethiol

1-fluoroethanethiol (PubChem CID 18424679) has the molecular formula C2H5FS and a molecular weight of 80.13 g/mol. Its IUPAC name is 1-fluoroethanethiol.

Molecular Properties

Compound Name1-fluoroethanethiol
PubChem CID18424679
Molecular FormulaC2H5FS
Molecular Weight80.13 g/mol
Exact Mass80.01
IUPAC Name1-fluoroethanethiol
SMILESCC(F)S
InChIInChI=1S/C2H5FS/c1-2(3)4/h2,4H,1H3
InChIKeyCFFBQPDXQRCJQV-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanethiol
CID 6343
3-Fluoropropane-1-thiol
CID 3030914
2-Fluoroethane-1-thiol
CID 21616583
Ethane-d5-thiol
CID 53769138
2-Fluoropropane-1-thiol
CID 17787404
1-Fluoropropane-1-thiol
CID 21652344
1-Fluoroethyl thiohypochlorite
CID 21692386
1,2-Difluoroethanethiol
CID 56985558
(Fluoromethyldisulfanyl)ethane
CID 87154724
1-Fluoro-1-(methyldisulfanyl)ethane
CID 87155528
1-Fluoro-2-(methyldisulfanyl)ethane
CID 87156178
1-(Disulfanyl)-1-fluoroethane
CID 87424818

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethanethiol?
The IUPAC name of 1-fluoroethanethiol (CID 18424679) is 1-fluoroethanethiol.
What is the SMILES notation for 1-fluoroethanethiol?
The canonical SMILES for 1-fluoroethanethiol is CC(F)S.
What is the InChIKey of 1-fluoroethanethiol?
The InChIKey is CFFBQPDXQRCJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FS/c1-2(3)4/h2,4H,1H3.
What are the key properties of 1-fluoroethanethiol?
1-fluoroethanethiol has a molecular weight of 80.13 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethanethiol is sourced from PubChem (CID 18424679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).