lithium methanidylsulfanylethane

C3H7LiS — CID 134877987

IUPAClithium methanidylsulfanylethane
SMILES[CH2-]SCC.[Li+]
InChIInChI=1S/C3H7S.Li/c1-3-4-2;/h2-3H2,1H3;/q-1;+1
InChIKeyWSTWGSKVAFVWLF-UHFFFAOYSA-N
MW82.10 g/mol
LogP-1.46
Rot. Bonds1

About lithium methanidylsulfanylethane

lithium methanidylsulfanylethane (PubChem CID 134877987) has the molecular formula C3H7LiS and a molecular weight of 82.10 g/mol. Its IUPAC name is lithium methanidylsulfanylethane.

Molecular Properties

Compound Namelithium methanidylsulfanylethane
PubChem CID134877987
Molecular FormulaC3H7LiS
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Namelithium methanidylsulfanylethane
SMILES[CH2-]SCC.[Li+]
InChIInChI=1S/C3H7S.Li/c1-3-4-2;/h2-3H2,1H3;/q-1;+1
InChIKeyWSTWGSKVAFVWLF-UHFFFAOYSA-N
XLogP-1.46
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 ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium methanidylsulfanylethane?
The IUPAC name of lithium methanidylsulfanylethane (CID 134877987) is lithium methanidylsulfanylethane.
What is the SMILES notation for lithium methanidylsulfanylethane?
The canonical SMILES for lithium methanidylsulfanylethane is [CH2-]SCC.[Li+].
What is the InChIKey of lithium methanidylsulfanylethane?
The InChIKey is WSTWGSKVAFVWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7S.Li/c1-3-4-2;/h2-3H2,1H3;/q-1;+1.
What are the key properties of lithium methanidylsulfanylethane?
lithium methanidylsulfanylethane has a molecular weight of 82.10 g/mol, XLogP of -1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methanidylsulfanylethane is sourced from PubChem (CID 134877987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).