1-fluoropropane-2-thiol

C3H7FS — CID 91275309

IUPAC1-fluoropropane-2-thiol
SMILESCC(S)CF
InChIInChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyWXQBINMIEGNSNX-UHFFFAOYSA-N
MW94.15 g/mol
LogP1.27
Rot. Bonds1

About 1-fluoropropane-2-thiol

1-fluoropropane-2-thiol (PubChem CID 91275309) has the molecular formula C3H7FS and a molecular weight of 94.15 g/mol. Its IUPAC name is 1-fluoropropane-2-thiol.

Molecular Properties

Compound Name1-fluoropropane-2-thiol
PubChem CID91275309
Molecular FormulaC3H7FS
Molecular Weight94.15 g/mol
Exact Mass94.03
IUPAC Name1-fluoropropane-2-thiol
SMILESCC(S)CF
InChIInChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyWXQBINMIEGNSNX-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-fluoropropane-2-thiol?
The IUPAC name of 1-fluoropropane-2-thiol (CID 91275309) is 1-fluoropropane-2-thiol.
What is the SMILES notation for 1-fluoropropane-2-thiol?
The canonical SMILES for 1-fluoropropane-2-thiol is CC(S)CF.
What is the InChIKey of 1-fluoropropane-2-thiol?
The InChIKey is WXQBINMIEGNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3.
What are the key properties of 1-fluoropropane-2-thiol?
1-fluoropropane-2-thiol has a molecular weight of 94.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-2-thiol is sourced from PubChem (CID 91275309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).