lithium 3-fluoropropane-1-thiolate

C3H6FLiS — CID 23688011

IUPAClithium 3-fluoropropane-1-thiolate
SMILESFCCC[S-].[Li+]
InChIInChI=1S/C3H7FS.Li/c4-2-1-3-5;/h5H,1-3H2;/q;+1/p-1
InChIKeyIICBXCDIABGPSB-UHFFFAOYSA-M
MW100.09 g/mol
LogP-2.10
Rot. Bonds2

About lithium 3-fluoropropane-1-thiolate

lithium 3-fluoropropane-1-thiolate (PubChem CID 23688011) has the molecular formula C3H6FLiS and a molecular weight of 100.09 g/mol. Its IUPAC name is lithium 3-fluoropropane-1-thiolate.

Molecular Properties

Compound Namelithium 3-fluoropropane-1-thiolate
PubChem CID23688011
Molecular FormulaC3H6FLiS
Molecular Weight100.09 g/mol
Exact Mass100.03
IUPAC Namelithium 3-fluoropropane-1-thiolate
SMILESFCCC[S-].[Li+]
InChIInChI=1S/C3H7FS.Li/c4-2-1-3-5;/h5H,1-3H2;/q;+1/p-1
InChIKeyIICBXCDIABGPSB-UHFFFAOYSA-M
XLogP-2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.09
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3-Fluoropropane-1-thiol
CID 3030914
Fluoropropanesulfenyl chloride
CID 129814308
3-Fluoropropanethial
CID 54526712
3-(18F)fluoropropane-1-thiol
CID 58654594
Lithium;3-fluoropropane-1-thiol;hydride
CID 173273052
CID 53628579
CID 53628579
CID 53628584
CID 53628584

Frequently Asked Questions

What is the IUPAC name of lithium 3-fluoropropane-1-thiolate?
The IUPAC name of lithium 3-fluoropropane-1-thiolate (CID 23688011) is lithium 3-fluoropropane-1-thiolate.
What is the SMILES notation for lithium 3-fluoropropane-1-thiolate?
The canonical SMILES for lithium 3-fluoropropane-1-thiolate is FCCC[S-].[Li+].
What is the InChIKey of lithium 3-fluoropropane-1-thiolate?
The InChIKey is IICBXCDIABGPSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7FS.Li/c4-2-1-3-5;/h5H,1-3H2;/q;+1/p-1.
What are the key properties of lithium 3-fluoropropane-1-thiolate?
lithium 3-fluoropropane-1-thiolate has a molecular weight of 100.09 g/mol, XLogP of -2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-fluoropropane-1-thiolate is sourced from PubChem (CID 23688011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).