dilithium;sulfidoformate

CLi2O2S — CID 22336321

IUPACdilithium;sulfidoformate
SMILESO=C([O-])[S-].[Li+].[Li+]
InChIInChI=1S/CH2O2S.2Li/c2-1(3)4;;/h4H,(H,2,3);;/q;2*+1/p-2
InChIKeyMIQLYOGQQPOYRG-UHFFFAOYSA-L
MW89.96 g/mol
LogP-7.12
Rot. Bonds

About dilithium;sulfidoformate

dilithium;sulfidoformate (PubChem CID 22336321) has the molecular formula CLi2O2S and a molecular weight of 89.96 g/mol. Its IUPAC name is dilithium;sulfidoformate.

Molecular Properties

Compound Namedilithium;sulfidoformate
PubChem CID22336321
Molecular FormulaCLi2O2S
Molecular Weight89.96 g/mol
Exact Mass89.99
IUPAC Namedilithium;sulfidoformate
SMILESO=C([O-])[S-].[Li+].[Li+]
InChIInChI=1S/CH2O2S.2Li/c2-1(3)4;;/h4H,(H,2,3);;/q;2*+1/p-2
InChIKeyMIQLYOGQQPOYRG-UHFFFAOYSA-L
XLogP-7.12
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.96
LogP ≤ 5-7.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dizinc sulfidoformate
CID 21464809
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cesium;lithium;carbonate;hydrate
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CID 172770959
dilithium;potassium;carbonate;fluoride
CID 173436543
calcium;lithium;sodium;dicarbonate
CID 140564969
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CID 173183813
bis(rhodium(3+));tricarbonate
CID 71471414
bis(gold(3+));tricarbonate
CID 56847861
plutonium dicarbonate
CID 22099017

Frequently Asked Questions

What is the IUPAC name of dilithium;sulfidoformate?
The IUPAC name of dilithium;sulfidoformate (CID 22336321) is dilithium;sulfidoformate.
What is the SMILES notation for dilithium;sulfidoformate?
The canonical SMILES for dilithium;sulfidoformate is O=C([O-])[S-].[Li+].[Li+].
What is the InChIKey of dilithium;sulfidoformate?
The InChIKey is MIQLYOGQQPOYRG-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O2S.2Li/c2-1(3)4;;/h4H,(H,2,3);;/q;2*+1/p-2.
What are the key properties of dilithium;sulfidoformate?
dilithium;sulfidoformate has a molecular weight of 89.96 g/mol, XLogP of -7.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;sulfidoformate is sourced from PubChem (CID 22336321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).