lithium;but-2-yne-1,4-dithiol;hydride

C4H7LiS2 — CID 175489160

IUPAClithium;but-2-yne-1,4-dithiol;hydride
SMILESSCC#CCS.[H-].[Li+]
InChIInChI=1S/C4H6S2.Li.H/c5-3-1-2-4-6;;/h5-6H,3-4H2;;/q;+1;-1
InChIKeyLMLNJTWXRMZVDO-UHFFFAOYSA-N
MW126.17 g/mol
LogP-2.03
Rot. Bonds

About lithium;but-2-yne-1,4-dithiol;hydride

lithium;but-2-yne-1,4-dithiol;hydride (PubChem CID 175489160) has the molecular formula C4H7LiS2 and a molecular weight of 126.17 g/mol. Its IUPAC name is lithium;but-2-yne-1,4-dithiol;hydride.

Molecular Properties

Compound Namelithium;but-2-yne-1,4-dithiol;hydride
PubChem CID175489160
Molecular FormulaC4H7LiS2
Molecular Weight126.17 g/mol
Exact Mass126.01
IUPAC Namelithium;but-2-yne-1,4-dithiol;hydride
SMILESSCC#CCS.[H-].[Li+]
InChIInChI=1S/C4H6S2.Li.H/c5-3-1-2-4-6;;/h5-6H,3-4H2;;/q;+1;-1
InChIKeyLMLNJTWXRMZVDO-UHFFFAOYSA-N
XLogP-2.03
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 5-2.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;but-2-yne-1,4-dithiol;hydride?
The IUPAC name of lithium;but-2-yne-1,4-dithiol;hydride (CID 175489160) is lithium;but-2-yne-1,4-dithiol;hydride.
What is the SMILES notation for lithium;but-2-yne-1,4-dithiol;hydride?
The canonical SMILES for lithium;but-2-yne-1,4-dithiol;hydride is SCC#CCS.[H-].[Li+].
What is the InChIKey of lithium;but-2-yne-1,4-dithiol;hydride?
The InChIKey is LMLNJTWXRMZVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S2.Li.H/c5-3-1-2-4-6;;/h5-6H,3-4H2;;/q;+1;-1.
What are the key properties of lithium;but-2-yne-1,4-dithiol;hydride?
lithium;but-2-yne-1,4-dithiol;hydride has a molecular weight of 126.17 g/mol, XLogP of -2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;but-2-yne-1,4-dithiol;hydride is sourced from PubChem (CID 175489160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).