lithium 1-(dimethylamino)ethenethiolate

C4H8LiNS — CID 23686537

IUPAClithium 1-(dimethylamino)ethenethiolate
SMILESC=C([S-])N(C)C.[Li+]
InChIInChI=1S/C4H9NS.Li/c1-4(6)5(2)3;/h6H,1H2,2-3H3;/q;+1/p-1
InChIKeyCZZRJVIYJZFVFI-UHFFFAOYSA-M
MW109.12 g/mol
LogP-2.43
Rot. Bonds1

About lithium 1-(dimethylamino)ethenethiolate

lithium 1-(dimethylamino)ethenethiolate (PubChem CID 23686537) has the molecular formula C4H8LiNS and a molecular weight of 109.12 g/mol. Its IUPAC name is lithium 1-(dimethylamino)ethenethiolate.

Molecular Properties

Compound Namelithium 1-(dimethylamino)ethenethiolate
PubChem CID23686537
Molecular FormulaC4H8LiNS
Molecular Weight109.12 g/mol
Exact Mass109.05
IUPAC Namelithium 1-(dimethylamino)ethenethiolate
SMILESC=C([S-])N(C)C.[Li+]
InChIInChI=1S/C4H9NS.Li/c1-4(6)5(2)3;/h6H,1H2,2-3H3;/q;+1/p-1
InChIKeyCZZRJVIYJZFVFI-UHFFFAOYSA-M
XLogP-2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(dimethylamino)ethenethiolate?
The IUPAC name of lithium 1-(dimethylamino)ethenethiolate (CID 23686537) is lithium 1-(dimethylamino)ethenethiolate.
What is the SMILES notation for lithium 1-(dimethylamino)ethenethiolate?
The canonical SMILES for lithium 1-(dimethylamino)ethenethiolate is C=C([S-])N(C)C.[Li+].
What is the InChIKey of lithium 1-(dimethylamino)ethenethiolate?
The InChIKey is CZZRJVIYJZFVFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NS.Li/c1-4(6)5(2)3;/h6H,1H2,2-3H3;/q;+1/p-1.
What are the key properties of lithium 1-(dimethylamino)ethenethiolate?
lithium 1-(dimethylamino)ethenethiolate has a molecular weight of 109.12 g/mol, XLogP of -2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(dimethylamino)ethenethiolate is sourced from PubChem (CID 23686537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).