lithium propane-1-thiolate

C3H7LiS — CID 10909481

IUPAClithium propane-1-thiolate
SMILESCCC[S-].[Li+]
InChIInChI=1S/C3H8S.Li/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1
InChIKeyHPSHEKVARRIWLU-UHFFFAOYSA-M
MW82.10 g/mol
LogP-2.05
Rot. Bonds1

About lithium propane-1-thiolate

lithium propane-1-thiolate (PubChem CID 10909481) has the molecular formula C3H7LiS and a molecular weight of 82.10 g/mol. Its IUPAC name is lithium propane-1-thiolate.

Molecular Properties

Compound Namelithium propane-1-thiolate
PubChem CID10909481
Molecular FormulaC3H7LiS
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Namelithium propane-1-thiolate
SMILESCCC[S-].[Li+]
InChIInChI=1S/C3H8S.Li/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1
InChIKeyHPSHEKVARRIWLU-UHFFFAOYSA-M
XLogP-2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium propane-1-thiolate?
The IUPAC name of lithium propane-1-thiolate (CID 10909481) is lithium propane-1-thiolate.
What is the SMILES notation for lithium propane-1-thiolate?
The canonical SMILES for lithium propane-1-thiolate is CCC[S-].[Li+].
What is the InChIKey of lithium propane-1-thiolate?
The InChIKey is HPSHEKVARRIWLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8S.Li/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of lithium propane-1-thiolate?
lithium propane-1-thiolate has a molecular weight of 82.10 g/mol, XLogP of -2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium propane-1-thiolate is sourced from PubChem (CID 10909481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).