dilithium;methane;sulfinato sulfite

CH4Li2O5S2 — CID 159142171

IUPACdilithium;methane;sulfinato sulfite
SMILESC.O=S([O-])OS(=O)[O-].[Li+].[Li+]
InChIInChI=1S/CH4.2Li.H2O5S2/c;;;1-6(2)5-7(3)4/h1H4;;;(H,1,2)(H,3,4)/q;2*+1;/p-2
InChIKeyXMVWBYOYEBTZFA-UHFFFAOYSA-L
MW174.05 g/mol
LogP-6.76
Rot. Bonds2

About dilithium;methane;sulfinato sulfite

dilithium;methane;sulfinato sulfite (PubChem CID 159142171) has the molecular formula CH4Li2O5S2 and a molecular weight of 174.05 g/mol. Its IUPAC name is dilithium;methane;sulfinato sulfite.

Molecular Properties

Compound Namedilithium;methane;sulfinato sulfite
PubChem CID159142171
Molecular FormulaCH4Li2O5S2
Molecular Weight174.05 g/mol
Exact Mass173.98
IUPAC Namedilithium;methane;sulfinato sulfite
SMILESC.O=S([O-])OS(=O)[O-].[Li+].[Li+]
InChIInChI=1S/CH4.2Li.H2O5S2/c;;;1-6(2)5-7(3)4/h1H4;;;(H,1,2)(H,3,4)/q;2*+1;/p-2
InChIKeyXMVWBYOYEBTZFA-UHFFFAOYSA-L
XLogP-6.76
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.05
LogP ≤ 5-6.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;methane;sulfinato sulfite?
The IUPAC name of dilithium;methane;sulfinato sulfite (CID 159142171) is dilithium;methane;sulfinato sulfite.
What is the SMILES notation for dilithium;methane;sulfinato sulfite?
The canonical SMILES for dilithium;methane;sulfinato sulfite is C.O=S([O-])OS(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;methane;sulfinato sulfite?
The InChIKey is XMVWBYOYEBTZFA-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4.2Li.H2O5S2/c;;;1-6(2)5-7(3)4/h1H4;;;(H,1,2)(H,3,4)/q;2*+1;/p-2.
What are the key properties of dilithium;methane;sulfinato sulfite?
dilithium;methane;sulfinato sulfite has a molecular weight of 174.05 g/mol, XLogP of -6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;methane;sulfinato sulfite is sourced from PubChem (CID 159142171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).