2-fluoro-3-sulfanylpropanoic acid

C3H5FO2S — CID 19034215

IUPAC2-fluoro-3-sulfanylpropanoic acid
SMILESO=C(O)C(F)CS
InChIInChI=1S/C3H5FO2S/c4-2(1-7)3(5)6/h2,7H,1H2,(H,5,6)
InChIKeyYJZIGLZZSISDAR-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.34
Rot. Bonds2

About 2-fluoro-3-sulfanylpropanoic acid

2-fluoro-3-sulfanylpropanoic acid (PubChem CID 19034215) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-fluoro-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-fluoro-3-sulfanylpropanoic acid
PubChem CID19034215
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Name2-fluoro-3-sulfanylpropanoic acid
SMILESO=C(O)C(F)CS
InChIInChI=1S/C3H5FO2S/c4-2(1-7)3(5)6/h2,7H,1H2,(H,5,6)
InChIKeyYJZIGLZZSISDAR-UHFFFAOYSA-N
XLogP0.34
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-sulfanylpropanoic acid?
The IUPAC name of 2-fluoro-3-sulfanylpropanoic acid (CID 19034215) is 2-fluoro-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-fluoro-3-sulfanylpropanoic acid?
The canonical SMILES for 2-fluoro-3-sulfanylpropanoic acid is O=C(O)C(F)CS.
What is the InChIKey of 2-fluoro-3-sulfanylpropanoic acid?
The InChIKey is YJZIGLZZSISDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c4-2(1-7)3(5)6/h2,7H,1H2,(H,5,6).
What are the key properties of 2-fluoro-3-sulfanylpropanoic acid?
2-fluoro-3-sulfanylpropanoic acid has a molecular weight of 124.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-sulfanylpropanoic acid is sourced from PubChem (CID 19034215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).