1-fluoropropane-2-thione

C3H5FS — CID 15184813

IUPAC1-fluoropropane-2-thione
SMILESCC(=S)CF
InChIInChI=1S/C3H5FS/c1-3(5)2-4/h2H2,1H3
InChIKeyQKVOMYPAXCQBJN-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.35
Rot. Bonds1

About 1-fluoropropane-2-thione

1-fluoropropane-2-thione (PubChem CID 15184813) has the molecular formula C3H5FS and a molecular weight of 92.14 g/mol. Its IUPAC name is 1-fluoropropane-2-thione.

Molecular Properties

Compound Name1-fluoropropane-2-thione
PubChem CID15184813
Molecular FormulaC3H5FS
Molecular Weight92.14 g/mol
Exact Mass92.01
IUPAC Name1-fluoropropane-2-thione
SMILESCC(=S)CF
InChIInChI=1S/C3H5FS/c1-3(5)2-4/h2H2,1H3
InChIKeyQKVOMYPAXCQBJN-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane-2-thione?
The IUPAC name of 1-fluoropropane-2-thione (CID 15184813) is 1-fluoropropane-2-thione.
What is the SMILES notation for 1-fluoropropane-2-thione?
The canonical SMILES for 1-fluoropropane-2-thione is CC(=S)CF.
What is the InChIKey of 1-fluoropropane-2-thione?
The InChIKey is QKVOMYPAXCQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FS/c1-3(5)2-4/h2H2,1H3.
What are the key properties of 1-fluoropropane-2-thione?
1-fluoropropane-2-thione has a molecular weight of 92.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-2-thione is sourced from PubChem (CID 15184813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).