(1S)-1-fluoropropane-1-thiol

C3H7FS — CID 173027870

IUPAC(1S)-1-fluoropropane-1-thiol
SMILESCC[C@@H](F)S
InChIInChI=1S/C3H7FS/c1-2-3(4)5/h3,5H,2H2,1H3/t3-/m0/s1
InChIKeyXWYCXXFPCGYQJK-VKHMYHEASA-N
MW94.15 g/mol
LogP1.62
Rot. Bonds1

About (1S)-1-fluoropropane-1-thiol

(1S)-1-fluoropropane-1-thiol (PubChem CID 173027870) has the molecular formula C3H7FS and a molecular weight of 94.15 g/mol. Its IUPAC name is (1S)-1-fluoropropane-1-thiol.

Molecular Properties

Compound Name(1S)-1-fluoropropane-1-thiol
PubChem CID173027870
Molecular FormulaC3H7FS
Molecular Weight94.15 g/mol
Exact Mass94.03
IUPAC Name(1S)-1-fluoropropane-1-thiol
SMILESCC[C@@H](F)S
InChIInChI=1S/C3H7FS/c1-2-3(4)5/h3,5H,2H2,1H3/t3-/m0/s1
InChIKeyXWYCXXFPCGYQJK-VKHMYHEASA-N
XLogP1.62
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 ≤ 51.62
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 (1S)-1-fluoropropane-1-thiol?
The IUPAC name of (1S)-1-fluoropropane-1-thiol (CID 173027870) is (1S)-1-fluoropropane-1-thiol.
What is the SMILES notation for (1S)-1-fluoropropane-1-thiol?
The canonical SMILES for (1S)-1-fluoropropane-1-thiol is CC[C@@H](F)S.
What is the InChIKey of (1S)-1-fluoropropane-1-thiol?
The InChIKey is XWYCXXFPCGYQJK-VKHMYHEASA-N. The full InChI is InChI=1S/C3H7FS/c1-2-3(4)5/h3,5H,2H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-fluoropropane-1-thiol?
(1S)-1-fluoropropane-1-thiol has a molecular weight of 94.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoropropane-1-thiol is sourced from PubChem (CID 173027870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).